2021-08-04T15:28:19,007 Created temporary directory: /tmp/pip-ephem-wheel-cache-ehv9ak69 2021-08-04T15:28:19,013 Created temporary directory: /tmp/pip-req-tracker-b1stmuxs 2021-08-04T15:28:19,014 Initialized build tracking at /tmp/pip-req-tracker-b1stmuxs 2021-08-04T15:28:19,015 Created build tracker: /tmp/pip-req-tracker-b1stmuxs 2021-08-04T15:28:19,015 Entered build tracker: /tmp/pip-req-tracker-b1stmuxs 2021-08-04T15:28:19,017 Created temporary directory: /tmp/pip-wheel-3wclkrji 2021-08-04T15:28:19,083 WARNING: The index url "/" seems invalid, please provide a scheme. 2021-08-04T15:28:19,084 WARNING: The index url "t" seems invalid, please provide a scheme. 2021-08-04T15:28:19,085 WARNING: The index url "m" seems invalid, please provide a scheme. 2021-08-04T15:28:19,085 WARNING: The index url "p" seems invalid, please provide a scheme. 2021-08-04T15:28:19,086 Looking in indexes: https://pypi.org/simple, /, t, m, p 2021-08-04T15:28:19,089 WARNING: Url '/pele-platform/' is ignored. It is either a non-existing path or lacks a specific scheme. 2021-08-04T15:28:19,090 WARNING: Url 't/pele-platform/' is ignored. It is either a non-existing path or lacks a specific scheme. 2021-08-04T15:28:19,090 WARNING: Url 'm/pele-platform/' is ignored. It is either a non-existing path or lacks a specific scheme. 2021-08-04T15:28:19,091 WARNING: Url 'p/pele-platform/' is ignored. It is either a non-existing path or lacks a specific scheme. 2021-08-04T15:28:19,092 1 location(s) to search for versions of pele-platform: 2021-08-04T15:28:19,092 * https://pypi.org/simple/pele-platform/ 2021-08-04T15:28:19,093 Fetching project page and analyzing links: https://pypi.org/simple/pele-platform/ 2021-08-04T15:28:19,095 Getting page https://pypi.org/simple/pele-platform/ 2021-08-04T15:28:19,099 Found index url https://pypi.org/simple 2021-08-04T15:28:19,463 Found link https://files.pythonhosted.org/packages/f0/ac/9497572d7da4e501c8dddc3be3fa338744dbc27b67eb09275b8375fae2fd/pele_platform-1.0.0.1.tar.gz#sha256=e3c8bde654fe3d249714c4ddb1d3471944752f6840a6bcf4b399a3466931b838 (from https://pypi.org/simple/pele-platform/), version: 1.0.0.1 2021-08-04T15:28:19,465 Found link https://files.pythonhosted.org/packages/79/a0/d1b4b9269c3fe9dd2edc878a2dec9d3f4e7701cc932272169f44a025c2a9/pele_platform-1.0.0.2.tar.gz#sha256=919f487c943e6e71a8d82e56dac3051605ffdc6a680d168b5233cea95c9e4701 (from https://pypi.org/simple/pele-platform/), version: 1.0.0.2 2021-08-04T15:28:19,466 Found link https://files.pythonhosted.org/packages/a3/56/3cc9eb3b0ecf0943c4f4eb5b0729cd54906290f84dc4cfb230ad69ce99c6/pele_platform-1.0.0.3.tar.gz#sha256=ea4f3df0aeb65812e72eb9b24605146a7afeeb7f89ce7f769058c2e894654239 (from https://pypi.org/simple/pele-platform/), version: 1.0.0.3 2021-08-04T15:28:19,467 Found link https://files.pythonhosted.org/packages/d0/6d/1ac79163749b10c7f694dde1db24063d4e2f57bcf365db1b8cfa1b9f7f57/pele_platform-1.1.0.tar.gz#sha256=25a644fc27c0c364bfece9addd278a74a5a7ea5f4ab40b31fa8cd961e7485a65 (from https://pypi.org/simple/pele-platform/), version: 1.1.0 2021-08-04T15:28:19,468 Found link https://files.pythonhosted.org/packages/fd/15/306ea35b1d4be507caf1613d05fc16c076f070c2a16e6283a331695fcb5e/pele_platform-1.2.0.tar.gz#sha256=2967a976bafc47884ca49864ca87d40d87aa50c2fc57900c1f0517e84e789153 (from https://pypi.org/simple/pele-platform/), version: 1.2.0 2021-08-04T15:28:19,468 Found link https://files.pythonhosted.org/packages/74/98/cf2442f668f8ad6be1838c3ce7b87a409eee7448a1d7d033862ad0bda36c/pele_platform-1.2.1.tar.gz#sha256=5d30d563960934362ac79eb7a24b8f4b831076dba29bbb498901a0b0a1dca367 (from https://pypi.org/simple/pele-platform/), version: 1.2.1 2021-08-04T15:28:19,469 Found link https://files.pythonhosted.org/packages/1a/78/29b2eb73308b595668a9c22abd93ac88f82c49ebc6b004f332a774166391/pele_platform-1.2.2.tar.gz#sha256=00f579740db5455cea04c82e86b87c8f53045496ba61d9f4e96436f1d0cdfb08 (from https://pypi.org/simple/pele-platform/), version: 1.2.2 2021-08-04T15:28:19,470 Found link https://files.pythonhosted.org/packages/fb/6b/85f262d33a080377ea5202d5779c9402c23aaefc4e1b04bb94d9432aad42/pele_platform-1.2.3.tar.gz#sha256=18713b6811d7689accb54dde5429aa5225dcb8e520164fd7b4037453c63f74d9 (from https://pypi.org/simple/pele-platform/), version: 1.2.3 2021-08-04T15:28:19,472 Found link https://files.pythonhosted.org/packages/d5/15/707e6b89f0ee479d173ef2fe6a41af1ff9d91dd86e45067da5cee56761d9/pele_platform-1.3.0.tar.gz#sha256=fb7fb5dd59f9e3a76d371be6aa0b013209752c464862bf944de6b2a2903424a9 (from https://pypi.org/simple/pele-platform/), version: 1.3.0 2021-08-04T15:28:19,473 Found link https://files.pythonhosted.org/packages/7c/b0/4fda3001d5f13010bc2005e335f799f24d2204fc700a847e28091b57fabb/pele_platform-1.3.1.tar.gz#sha256=c6c0ac764ae30ce8a0650cdf0fc686fd733cb6b11fc15e6cccd5659166be3b33 (from https://pypi.org/simple/pele-platform/), version: 1.3.1 2021-08-04T15:28:19,474 Found link https://files.pythonhosted.org/packages/34/21/2f68d91d200432e0feb4662f6ba5538817335d86df60688e3a6f050dd21b/pele_platform-1.3.2.tar.gz#sha256=14c6e236347a1101f5de04bc25a32f302904bdb46326fb151c14e930a28d7a48 (from https://pypi.org/simple/pele-platform/), version: 1.3.2 2021-08-04T15:28:19,475 Found link https://files.pythonhosted.org/packages/63/a6/ad0bc781b4089093fd8aca4d75d237e0c0ae9d1f6b7e4b86a733f5a91b10/pele_platform-1.3.3.tar.gz#sha256=9e9e49d359bde42485b1c2d23b8a80c3de43064a672c260d18b9f10b55ee666e (from https://pypi.org/simple/pele-platform/), version: 1.3.3 2021-08-04T15:28:19,476 Found link https://files.pythonhosted.org/packages/e7/6a/4d8e75e0dbff74b22c76f4640a72798acfe6f55e35dcf0e9080dc8f36857/pele_platform-1.3.4.tar.gz#sha256=b8f7a2caac267df0381e8a3d73ddfeaec60cccc22336aa76178dbf3d2b2e880b (from https://pypi.org/simple/pele-platform/), version: 1.3.4 2021-08-04T15:28:19,476 Found link https://files.pythonhosted.org/packages/d2/7d/8f6c7c977288ed554723c003a885c118889c3bf76ac343961a84d330f85e/pele_platform-1.4.0.tar.gz#sha256=0190af77e0e24482742b634d120ac9b52135716bbbc93929bf688313f63e4a59 (from https://pypi.org/simple/pele-platform/), version: 1.4.0 2021-08-04T15:28:19,477 Found link https://files.pythonhosted.org/packages/ed/11/ff7cdcb7a17869082a94fc4c066a8bc6407a07f7c542c1dbc4919b1e091a/pele_platform-1.4.1.tar.gz#sha256=2f5327616aeff5be40d54b2771fd43b8cdb75086944c11800339bd44e0866c01 (from https://pypi.org/simple/pele-platform/), version: 1.4.1 2021-08-04T15:28:19,478 Found link https://files.pythonhosted.org/packages/4b/4f/fec23d74e8b1474fe25234fd34972a427234307dc9f7908f916e50036d81/pele_platform-1.4.2.tar.gz#sha256=c1092fb5c5cdb38736f621c434ff3112ea1cd1abc94d0bfe03ea7044b6e06612 (from https://pypi.org/simple/pele-platform/), version: 1.4.2 2021-08-04T15:28:19,479 Found link https://files.pythonhosted.org/packages/7a/b3/8eeb8c773a4fbf6561a929b8bab563f31384a0512a4708b4d0249ebc8c24/pele_platform-1.4.3.tar.gz#sha256=e491ac06c05301a846084e07ab709abf4b0507768710256443b6523b25339c40 (from https://pypi.org/simple/pele-platform/), version: 1.4.3 2021-08-04T15:28:19,480 Found link https://files.pythonhosted.org/packages/92/57/ff446766add00995f3fa0446f9c32ad52b759bab05d3f41e5ee51a8e76a8/pele_platform-1.4.4.tar.gz#sha256=eca94d45d76664106cff9915781740932635878b203b430d62f7aeb252ce59c7 (from https://pypi.org/simple/pele-platform/), version: 1.4.4 2021-08-04T15:28:19,481 Found link https://files.pythonhosted.org/packages/6d/f3/5ad1c5dab958edc8ecfb75883f8ac760308e570f3a0929104ba01a223f02/pele_platform-1.5.0.tar.gz#sha256=0b7eed2abd70f20caadcf9e9c8642cfc51d55d66ab114e42f0d425bfb6603323 (from https://pypi.org/simple/pele-platform/), version: 1.5.0 2021-08-04T15:28:19,482 Found link https://files.pythonhosted.org/packages/1c/b0/44dcc5184b218a7481babe8cd5738129741e29422e226308a583a3dd5629/pele_platform-1.5.1.tar.gz#sha256=9e138403c8fb65450d9841db279140f046a8325791af9983e202c9002bf44b93 (from https://pypi.org/simple/pele-platform/), version: 1.5.1 2021-08-04T15:28:19,483 Found link https://files.pythonhosted.org/packages/05/85/4cfdad270ebf569727204cbc9de66f22ef802d5079846f2631e1e6a11059/pele_platform-1.6.0b1.tar.gz#sha256=a7b5e566ec00598a1991d44c8748267104e5a123f462365a584632c94b36a7bf (from https://pypi.org/simple/pele-platform/), version: 1.6.0b1 2021-08-04T15:28:19,484 Found link https://files.pythonhosted.org/packages/c0/d6/f49f102325943cd3a82086e4740dfabd416c278d21ef9f3097fc1bb0ba7a/pele_platform-1.6.0b2.tar.gz#sha256=6bf2be383e50f6654f49f87e44dfc548f2aa1f5f002b25089ae2089ab0a92654 (from https://pypi.org/simple/pele-platform/), version: 1.6.0b2 2021-08-04T15:28:19,485 Found link https://files.pythonhosted.org/packages/f7/16/8db67212a622716e71ea8a9664e4da6207ae136369f2d1b3b802ca39baee/pele_platform-1.6.0b3.tar.gz#sha256=916a0f278c53e5eec786008a498654481c2e76b90b4385e75398872fd28b1f6e (from https://pypi.org/simple/pele-platform/), version: 1.6.0b3 2021-08-04T15:28:19,486 Found link https://files.pythonhosted.org/packages/f3/46/ecebcaed96148f710c2aa716f1a4862033073dfe8c1da1c7283d32b766b4/pele_platform-1.6.0b4.tar.gz#sha256=1e6cdaab94470fa0de99010c2e51ed94e1634b14c9a53206b6f33e838616b361 (from https://pypi.org/simple/pele-platform/), version: 1.6.0b4 2021-08-04T15:28:19,487 Found link https://files.pythonhosted.org/packages/7a/03/3f391e98e553a1cea233c87fe3d33171be5b3851fbf37869ccdfebca58c4/pele_platform-1.6.0b5.tar.gz#sha256=9e98fe723a6e9b2d67e7c95441f23bc98f550d4d824a47614981b39643e4781d (from https://pypi.org/simple/pele-platform/), version: 1.6.0b5 2021-08-04T15:28:19,487 Found link https://files.pythonhosted.org/packages/e1/28/b31c1b1b3daf0bc65f6c3d09cad23ec355868feb94787f0adc4407c60364/pele_platform-1.6.0b6.tar.gz#sha256=63327ad61bcbfa4e69c138e5ec38621194b929c5e271b21d01c359961fd8e805 (from https://pypi.org/simple/pele-platform/), version: 1.6.0b6 2021-08-04T15:28:19,488 Found link https://files.pythonhosted.org/packages/3c/b6/8ebb9f0d293a32db481b1bd6e620d5b04e73b2bf516bcedbd22033f16016/pele_platform-1.6.0b7.tar.gz#sha256=e5e3a57d5eb74bf3f664714017549f773f71f325da381666f8f872c38c12d06e (from https://pypi.org/simple/pele-platform/), version: 1.6.0b7 2021-08-04T15:28:19,489 Found link https://files.pythonhosted.org/packages/bf/83/ff52f07ec4bc23a134b0fcb5ea792d20ee925939a73bc0a2cc867e47378c/pele_platform-1.6.0rc1.tar.gz#sha256=34a396a464e091c199e16e4d7fdce545eb8e1acde49096d61f5c5f04a220b1d7 (from https://pypi.org/simple/pele-platform/), version: 1.6.0rc1 2021-08-04T15:28:19,490 Found link https://files.pythonhosted.org/packages/43/3a/60b79f3dae3de9b5568620f8d2bf4fc3d2a80a2bf055d2699f962b5cdd27/pele_platform-1.6.0rc2.tar.gz#sha256=1056394184b738486172547f015fa65ca7830cec5605bb99c86741908b3db07a (from https://pypi.org/simple/pele-platform/), version: 1.6.0rc2 2021-08-04T15:28:19,533 Given no hashes to check 1 links for project 'pele-platform': discarding no candidates 2021-08-04T15:28:19,566 Collecting pele-platform==1.6.0rc2 2021-08-04T15:28:19,570 Created temporary directory: /tmp/pip-unpack-ysrbg9pz 2021-08-04T15:28:22,730 Downloading pele_platform-1.6.0rc2.tar.gz (11.1 MB) 2021-08-04T15:28:35,021 Added pele-platform==1.6.0rc2 from https://files.pythonhosted.org/packages/43/3a/60b79f3dae3de9b5568620f8d2bf4fc3d2a80a2bf055d2699f962b5cdd27/pele_platform-1.6.0rc2.tar.gz#sha256=1056394184b738486172547f015fa65ca7830cec5605bb99c86741908b3db07a to build tracker '/tmp/pip-req-tracker-b1stmuxs' 2021-08-04T15:28:35,024 Running setup.py (path:/tmp/pip-wheel-3wclkrji/pele-platform_4cf1fd04cd4b48f586f0d539b0c57efb/setup.py) egg_info for package pele-platform 2021-08-04T15:28:35,025 Created temporary directory: /tmp/pip-pip-egg-info-xqei2tg6 2021-08-04T15:28:35,026 Running command python setup.py egg_info 2021-08-04T15:28:37,539 running egg_info 2021-08-04T15:28:37,545 creating /tmp/pip-pip-egg-info-xqei2tg6/pele_platform.egg-info 2021-08-04T15:28:37,549 writing requirements to /tmp/pip-pip-egg-info-xqei2tg6/pele_platform.egg-info/requires.txt 2021-08-04T15:28:37,552 writing /tmp/pip-pip-egg-info-xqei2tg6/pele_platform.egg-info/PKG-INFO 2021-08-04T15:28:37,556 writing dependency_links to /tmp/pip-pip-egg-info-xqei2tg6/pele_platform.egg-info/dependency_links.txt 2021-08-04T15:28:37,558 writing top-level names to /tmp/pip-pip-egg-info-xqei2tg6/pele_platform.egg-info/top_level.txt 2021-08-04T15:28:37,562 writing manifest file '/tmp/pip-pip-egg-info-xqei2tg6/pele_platform.egg-info/SOURCES.txt' 2021-08-04T15:28:37,613 reading manifest file '/tmp/pip-pip-egg-info-xqei2tg6/pele_platform.egg-info/SOURCES.txt' 2021-08-04T15:28:37,617 reading manifest template 'MANIFEST.in' 2021-08-04T15:28:37,620 warning: no files found matching 'pele_platform/Utilities/PlopRotTemp/param/*' 2021-08-04T15:28:37,621 warning: no files found matching 'pele_platform/AdaptivePELE/atomset/*' 2021-08-04T15:28:37,622 warning: no files found matching 'pele_platform/AdaptivePELE/freeEnergies/*' 2021-08-04T15:28:37,622 warning: no files found matching '*' under directory 'pele_platform/Utilities/PPP/Data/' 2021-08-04T15:28:38,096 warning: no files found matching '*' under directory 'tests/data' 2021-08-04T15:28:38,143 writing manifest file '/tmp/pip-pip-egg-info-xqei2tg6/pele_platform.egg-info/SOURCES.txt' 2021-08-04T15:28:38,282 Source in /tmp/pip-wheel-3wclkrji/pele-platform_4cf1fd04cd4b48f586f0d539b0c57efb has version 1.6.0rc2, which satisfies requirement pele-platform==1.6.0rc2 from https://files.pythonhosted.org/packages/43/3a/60b79f3dae3de9b5568620f8d2bf4fc3d2a80a2bf055d2699f962b5cdd27/pele_platform-1.6.0rc2.tar.gz#sha256=1056394184b738486172547f015fa65ca7830cec5605bb99c86741908b3db07a 2021-08-04T15:28:38,284 Removed pele-platform==1.6.0rc2 from https://files.pythonhosted.org/packages/43/3a/60b79f3dae3de9b5568620f8d2bf4fc3d2a80a2bf055d2699f962b5cdd27/pele_platform-1.6.0rc2.tar.gz#sha256=1056394184b738486172547f015fa65ca7830cec5605bb99c86741908b3db07a from build tracker '/tmp/pip-req-tracker-b1stmuxs' 2021-08-04T15:28:38,293 Created temporary directory: /tmp/pip-unpack-4e68bg7c 2021-08-04T15:28:38,294 Building wheels for collected packages: pele-platform 2021-08-04T15:28:38,303 Created temporary directory: /tmp/pip-wheel-vpq2wb6g 2021-08-04T15:28:38,304 Building wheel for pele-platform (setup.py): started 2021-08-04T15:28:38,305 Destination directory: /tmp/pip-wheel-vpq2wb6g 2021-08-04T15:28:38,305 Running command /usr/bin/python3 -u -c 'import sys, setuptools, tokenize; sys.argv[0] = '"'"'/tmp/pip-wheel-3wclkrji/pele-platform_4cf1fd04cd4b48f586f0d539b0c57efb/setup.py'"'"'; __file__='"'"'/tmp/pip-wheel-3wclkrji/pele-platform_4cf1fd04cd4b48f586f0d539b0c57efb/setup.py'"'"';f=getattr(tokenize, '"'"'open'"'"', open)(__file__);code=f.read().replace('"'"'\r\n'"'"', '"'"'\n'"'"');f.close();exec(compile(code, __file__, '"'"'exec'"'"'))' bdist_wheel -d /tmp/pip-wheel-vpq2wb6g 2021-08-04T15:28:40,741 running bdist_wheel 2021-08-04T15:28:40,751 running build 2021-08-04T15:28:40,752 running build_py 2021-08-04T15:28:40,763 creating build 2021-08-04T15:28:40,764 creating build/lib 2021-08-04T15:28:40,766 creating build/lib/pele_platform 2021-08-04T15:28:40,769 copying pele_platform/main.py -> build/lib/pele_platform 2021-08-04T15:28:40,773 copying pele_platform/_version.py -> build/lib/pele_platform 2021-08-04T15:28:40,777 copying pele_platform/__init__.py -> build/lib/pele_platform 2021-08-04T15:28:40,782 creating build/lib/pele_platform/analysis 2021-08-04T15:28:40,785 copying pele_platform/analysis/pdf_report.py -> build/lib/pele_platform/analysis 2021-08-04T15:28:40,789 copying pele_platform/analysis/data.py -> build/lib/pele_platform/analysis 2021-08-04T15:28:40,800 copying pele_platform/analysis/interactive_plot.py -> build/lib/pele_platform/analysis 2021-08-04T15:28:40,808 copying pele_platform/analysis/__init__.py -> build/lib/pele_platform/analysis 2021-08-04T15:28:40,812 copying pele_platform/analysis/plot.py -> build/lib/pele_platform/analysis 2021-08-04T15:28:40,818 copying pele_platform/analysis/analysis.py -> build/lib/pele_platform/analysis 2021-08-04T15:28:40,830 copying pele_platform/analysis/clustering.py -> build/lib/pele_platform/analysis 2021-08-04T15:28:40,839 creating build/lib/pele_platform/site_finder 2021-08-04T15:28:40,842 copying pele_platform/site_finder/main.py -> build/lib/pele_platform/site_finder 2021-08-04T15:28:40,849 copying pele_platform/site_finder/__init__.py -> build/lib/pele_platform/site_finder 2021-08-04T15:28:40,855 creating build/lib/pele_platform/features 2021-08-04T15:28:40,858 copying pele_platform/features/adaptive.py -> build/lib/pele_platform/features 2021-08-04T15:28:40,866 copying pele_platform/features/frag.py -> build/lib/pele_platform/features 2021-08-04T15:28:40,872 copying pele_platform/features/__init__.py -> build/lib/pele_platform/features 2021-08-04T15:28:40,878 creating build/lib/pele_platform/covalent_docking 2021-08-04T15:28:40,881 copying pele_platform/covalent_docking/main.py -> build/lib/pele_platform/covalent_docking 2021-08-04T15:28:40,888 copying pele_platform/covalent_docking/__init__.py -> build/lib/pele_platform/covalent_docking 2021-08-04T15:28:40,894 creating build/lib/pele_platform/Checker 2021-08-04T15:28:40,895 copying pele_platform/Checker/main.py -> build/lib/pele_platform/Checker 2021-08-04T15:28:40,901 copying pele_platform/Checker/environment_variables.py -> build/lib/pele_platform/Checker 2021-08-04T15:28:40,905 copying pele_platform/Checker/executable.py -> build/lib/pele_platform/Checker 2021-08-04T15:28:40,909 copying pele_platform/Checker/__init__.py -> build/lib/pele_platform/Checker 2021-08-04T15:28:40,914 copying pele_platform/Checker/valid_flags.py -> build/lib/pele_platform/Checker 2021-08-04T15:28:40,920 copying pele_platform/Checker/pdb_checker.py -> build/lib/pele_platform/Checker 2021-08-04T15:28:40,926 copying pele_platform/Checker/python_version.py -> build/lib/pele_platform/Checker 2021-08-04T15:28:40,933 creating build/lib/pele_platform/Frag 2021-08-04T15:28:40,935 copying pele_platform/Frag/checker.py -> build/lib/pele_platform/Frag 2021-08-04T15:28:40,940 copying pele_platform/Frag/fragments.py -> build/lib/pele_platform/Frag 2021-08-04T15:28:40,944 copying pele_platform/Frag/libraries.py -> build/lib/pele_platform/Frag 2021-08-04T15:28:40,950 copying pele_platform/Frag/atoms.py -> build/lib/pele_platform/Frag 2021-08-04T15:28:40,955 copying pele_platform/Frag/generative_model.py -> build/lib/pele_platform/Frag 2021-08-04T15:28:40,961 copying pele_platform/Frag/helpers.py -> build/lib/pele_platform/Frag 2021-08-04T15:28:40,968 copying pele_platform/Frag/__init__.py -> build/lib/pele_platform/Frag 2021-08-04T15:28:40,973 copying pele_platform/Frag/analysis.py -> build/lib/pele_platform/Frag 2021-08-04T15:28:40,978 copying pele_platform/Frag/simulation.py -> build/lib/pele_platform/Frag 2021-08-04T15:28:40,985 creating build/lib/pele_platform/out_in 2021-08-04T15:28:40,987 copying pele_platform/out_in/main.py -> build/lib/pele_platform/out_in 2021-08-04T15:28:40,991 copying pele_platform/out_in/__init__.py -> build/lib/pele_platform/out_in 2021-08-04T15:28:40,999 creating build/lib/pele_platform/Adaptive 2021-08-04T15:28:41,001 copying pele_platform/Adaptive/pca.py -> build/lib/pele_platform/Adaptive 2021-08-04T15:28:41,007 copying pele_platform/Adaptive/interaction_restrictions.py -> build/lib/pele_platform/Adaptive 2021-08-04T15:28:41,013 copying pele_platform/Adaptive/plop_ligand_parametrization.py -> build/lib/pele_platform/Adaptive 2021-08-04T15:28:41,017 copying pele_platform/Adaptive/metrics.py -> build/lib/pele_platform/Adaptive 2021-08-04T15:28:41,021 copying pele_platform/Adaptive/box.py -> build/lib/pele_platform/Adaptive 2021-08-04T15:28:41,025 copying pele_platform/Adaptive/plop_solvent.py -> build/lib/pele_platform/Adaptive 2021-08-04T15:28:41,029 copying pele_platform/Adaptive/__init__.py -> build/lib/pele_platform/Adaptive 2021-08-04T15:28:41,033 copying pele_platform/Adaptive/parametrizer.py -> build/lib/pele_platform/Adaptive 2021-08-04T15:28:41,043 copying pele_platform/Adaptive/simulation.py -> build/lib/pele_platform/Adaptive 2021-08-04T15:28:41,053 creating build/lib/pele_platform/constants 2021-08-04T15:28:41,055 copying pele_platform/constants/pele_params.py -> build/lib/pele_platform/constants 2021-08-04T15:28:41,062 copying pele_platform/constants/constants.py -> build/lib/pele_platform/constants 2021-08-04T15:28:41,067 copying pele_platform/constants/__init__.py -> build/lib/pele_platform/constants 2021-08-04T15:28:41,072 creating build/lib/pele_platform/enzyme_engineering 2021-08-04T15:28:41,074 copying pele_platform/enzyme_engineering/saturated_mutagenesis.py -> build/lib/pele_platform/enzyme_engineering 2021-08-04T15:28:41,081 copying pele_platform/enzyme_engineering/__init__.py -> build/lib/pele_platform/enzyme_engineering 2021-08-04T15:28:41,087 creating build/lib/pele_platform/RNA 2021-08-04T15:28:41,090 copying pele_platform/RNA/prep.py -> build/lib/pele_platform/RNA 2021-08-04T15:28:41,096 copying pele_platform/RNA/__init__.py -> build/lib/pele_platform/RNA 2021-08-04T15:28:41,100 creating build/lib/pele_platform/gpcr 2021-08-04T15:28:41,102 copying pele_platform/gpcr/main.py -> build/lib/pele_platform/gpcr 2021-08-04T15:28:41,107 copying pele_platform/gpcr/__init__.py -> build/lib/pele_platform/gpcr 2021-08-04T15:28:41,111 creating build/lib/pele_platform/Utilities 2021-08-04T15:28:41,113 copying pele_platform/Utilities/__init__.py -> build/lib/pele_platform/Utilities 2021-08-04T15:28:41,120 creating build/lib/pele_platform/PPI 2021-08-04T15:28:41,123 copying pele_platform/PPI/cluster.py -> build/lib/pele_platform/PPI 2021-08-04T15:28:41,129 copying pele_platform/PPI/simulation_launcher.py -> build/lib/pele_platform/PPI 2021-08-04T15:28:41,135 copying pele_platform/PPI/preparation.py -> build/lib/pele_platform/PPI 2021-08-04T15:28:41,140 copying pele_platform/PPI/main.py -> build/lib/pele_platform/PPI 2021-08-04T15:28:41,145 copying pele_platform/PPI/__init__.py -> build/lib/pele_platform/PPI 2021-08-04T15:28:41,149 creating build/lib/pele_platform/Errors 2021-08-04T15:28:41,151 copying pele_platform/Errors/__init__.py -> build/lib/pele_platform/Errors 2021-08-04T15:28:41,154 copying pele_platform/Errors/custom_errors.py -> build/lib/pele_platform/Errors 2021-08-04T15:28:41,162 creating build/lib/pele_platform/Frag/parameters 2021-08-04T15:28:41,165 copying pele_platform/Frag/parameters/files.py -> build/lib/pele_platform/Frag/parameters 2021-08-04T15:28:41,171 copying pele_platform/Frag/parameters/metrics.py -> build/lib/pele_platform/Frag/parameters 2021-08-04T15:28:41,177 copying pele_platform/Frag/parameters/water.py -> build/lib/pele_platform/Frag/parameters 2021-08-04T15:28:41,181 copying pele_platform/Frag/parameters/optional.py -> build/lib/pele_platform/Frag/parameters 2021-08-04T15:28:41,186 copying pele_platform/Frag/parameters/__init__.py -> build/lib/pele_platform/Frag/parameters 2021-08-04T15:28:41,190 copying pele_platform/Frag/parameters/simulation.py -> build/lib/pele_platform/Frag/parameters 2021-08-04T15:28:41,201 creating build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,203 copying pele_platform/Utilities/Helpers/map_atoms.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,209 copying pele_platform/Utilities/Helpers/template_builder.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,213 copying pele_platform/Utilities/Helpers/yaml_parser.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,220 copying pele_platform/Utilities/Helpers/bestStructs.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,226 copying pele_platform/Utilities/Helpers/protein_wizard.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,232 copying pele_platform/Utilities/Helpers/randomize.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,240 copying pele_platform/Utilities/Helpers/plop_launcher.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,245 copying pele_platform/Utilities/Helpers/launcher.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,250 copying pele_platform/Utilities/Helpers/conda_deployment.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,254 copying pele_platform/Utilities/Helpers/system_prep.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,260 copying pele_platform/Utilities/Helpers/center_of_mass.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,265 copying pele_platform/Utilities/Helpers/interaction_constraints.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,272 copying pele_platform/Utilities/Helpers/helpers.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,280 copying pele_platform/Utilities/Helpers/water.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,287 copying pele_platform/Utilities/Helpers/solventOBCParamsGenerator.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,292 copying pele_platform/Utilities/Helpers/__init__.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,297 copying pele_platform/Utilities/Helpers/ligand_conformations.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,301 copying pele_platform/Utilities/Helpers/calculatePCA4PELE.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,310 copying pele_platform/Utilities/Helpers/simulation.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,317 copying pele_platform/Utilities/Helpers/missing_residues.py -> build/lib/pele_platform/Utilities/Helpers 2021-08-04T15:28:41,324 creating build/lib/pele_platform/Utilities/Parameters 2021-08-04T15:28:41,326 copying pele_platform/Utilities/Parameters/parameters.py -> build/lib/pele_platform/Utilities/Parameters 2021-08-04T15:28:41,332 copying pele_platform/Utilities/Parameters/__init__.py -> build/lib/pele_platform/Utilities/Parameters 2021-08-04T15:28:41,337 creating build/lib/pele_platform/Utilities/Helpers/Metals 2021-08-04T15:28:41,339 copying pele_platform/Utilities/Helpers/Metals/metal_polarisation.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-08-04T15:28:41,345 copying pele_platform/Utilities/Helpers/Metals/__init__.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-08-04T15:28:41,350 copying pele_platform/Utilities/Helpers/Metals/metal_constraints.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-08-04T15:28:41,360 creating build/lib/pele_platform/Utilities/Helpers/constraints 2021-08-04T15:28:41,363 copying pele_platform/Utilities/Helpers/constraints/smiles_constraints.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-08-04T15:28:41,369 copying pele_platform/Utilities/Helpers/constraints/__init__.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-08-04T15:28:41,372 copying pele_platform/Utilities/Helpers/constraints/alpha_constraints.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-08-04T15:28:41,378 creating build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-08-04T15:28:41,381 copying pele_platform/Utilities/Parameters/SimulationFolders/simulation_folders.py -> build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-08-04T15:28:41,386 copying pele_platform/Utilities/Parameters/SimulationFolders/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-08-04T15:28:41,393 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-08-04T15:28:41,396 copying pele_platform/Utilities/Parameters/SimulationParams/simulation_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-08-04T15:28:41,405 copying pele_platform/Utilities/Parameters/SimulationParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-08-04T15:28:41,410 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-08-04T15:28:41,412 copying pele_platform/Utilities/Parameters/SimulationParams/site_finder/site_finder.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-08-04T15:28:41,416 copying pele_platform/Utilities/Parameters/SimulationParams/site_finder/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-08-04T15:28:41,420 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-08-04T15:28:41,423 copying pele_platform/Utilities/Parameters/SimulationParams/InOutParams/inout_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-08-04T15:28:41,428 copying pele_platform/Utilities/Parameters/SimulationParams/InOutParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-08-04T15:28:41,435 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-08-04T15:28:41,438 copying pele_platform/Utilities/Parameters/SimulationParams/PCA/pca.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-08-04T15:28:41,444 copying pele_platform/Utilities/Parameters/SimulationParams/PCA/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-08-04T15:28:41,449 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-08-04T15:28:41,451 copying pele_platform/Utilities/Parameters/SimulationParams/MSMParams/msm_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-08-04T15:28:41,455 copying pele_platform/Utilities/Parameters/SimulationParams/MSMParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-08-04T15:28:41,460 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-08-04T15:28:41,462 copying pele_platform/Utilities/Parameters/SimulationParams/BiasParams/bias_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-08-04T15:28:41,467 copying pele_platform/Utilities/Parameters/SimulationParams/BiasParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-08-04T15:28:41,473 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-08-04T15:28:41,475 copying pele_platform/Utilities/Parameters/SimulationParams/GlideParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-08-04T15:28:41,481 copying pele_platform/Utilities/Parameters/SimulationParams/GlideParams/glide_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-08-04T15:28:41,488 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-08-04T15:28:41,490 copying pele_platform/Utilities/Parameters/SimulationParams/PPI/ppi.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-08-04T15:28:41,495 copying pele_platform/Utilities/Parameters/SimulationParams/PPI/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-08-04T15:28:41,498 running egg_info 2021-08-04T15:28:41,518 writing pele_platform.egg-info/PKG-INFO 2021-08-04T15:28:41,522 writing top-level names to pele_platform.egg-info/top_level.txt 2021-08-04T15:28:41,525 writing requirements to pele_platform.egg-info/requires.txt 2021-08-04T15:28:41,527 writing dependency_links to pele_platform.egg-info/dependency_links.txt 2021-08-04T15:28:41,572 reading manifest file 'pele_platform.egg-info/SOURCES.txt' 2021-08-04T15:28:41,600 reading manifest template 'MANIFEST.in' 2021-08-04T15:28:41,602 warning: no files found matching 'pele_platform/Utilities/PlopRotTemp/param/*' 2021-08-04T15:28:41,603 warning: no files found matching 'pele_platform/AdaptivePELE/atomset/*' 2021-08-04T15:28:41,604 warning: no files found matching 'pele_platform/AdaptivePELE/freeEnergies/*' 2021-08-04T15:28:41,604 warning: no files found matching '*' under directory 'pele_platform/Utilities/PPP/Data/' 2021-08-04T15:28:42,073 warning: no files found matching '*' under directory 'tests/data' 2021-08-04T15:28:42,144 writing manifest file 'pele_platform.egg-info/SOURCES.txt' 2021-08-04T15:28:42,253 creating build/lib/pele_platform/Examples 2021-08-04T15:28:42,255 copying pele_platform/Examples/test.sl -> build/lib/pele_platform/Examples 2021-08-04T15:28:42,260 creating build/lib/pele_platform/Examples/Adaptive 2021-08-04T15:28:42,263 copying pele_platform/Examples/Adaptive/STR.rot.assign -> build/lib/pele_platform/Examples/Adaptive 2021-08-04T15:28:42,268 copying pele_platform/Examples/Adaptive/adaptive.conf -> build/lib/pele_platform/Examples/Adaptive 2021-08-04T15:28:42,273 copying pele_platform/Examples/Adaptive/pele_file_4Adaptive.conf -> build/lib/pele_platform/Examples/Adaptive 2021-08-04T15:28:42,279 copying pele_platform/Examples/Adaptive/strz -> build/lib/pele_platform/Examples/Adaptive 2021-08-04T15:28:42,290 copying pele_platform/Examples/Adaptive/test.sl -> build/lib/pele_platform/Examples/Adaptive 2021-08-04T15:28:42,296 creating build/lib/pele_platform/Examples/Msm 2021-08-04T15:28:42,299 copying pele_platform/Examples/Msm/AS4_INIT.mae -> build/lib/pele_platform/Examples/Msm 2021-08-04T15:28:42,308 copying pele_platform/Examples/Msm/PR_1A28_protein.pdb -> build/lib/pele_platform/Examples/Msm 2021-08-04T15:28:42,346 copying pele_platform/Examples/Msm/PR_1A28_xray_-_minimized.pdb -> build/lib/pele_platform/Examples/Msm 2021-08-04T15:28:42,385 copying pele_platform/Examples/Msm/PR_1A28_xray_-_minimized_processed.pdb -> build/lib/pele_platform/Examples/Msm 2021-08-04T15:28:42,423 copying pele_platform/Examples/Msm/PR_AS4.pdb -> build/lib/pele_platform/Examples/Msm 2021-08-04T15:28:42,461 copying pele_platform/Examples/Msm/input.yaml -> build/lib/pele_platform/Examples/Msm 2021-08-04T15:28:42,467 creating build/lib/pele_platform/Examples/PPI 2021-08-04T15:28:42,470 copying pele_platform/Examples/PPI/1f47_ligand.pdb -> build/lib/pele_platform/Examples/PPI 2021-08-04T15:28:42,477 copying pele_platform/Examples/PPI/1f47_prep.pdb -> build/lib/pele_platform/Examples/PPI 2021-08-04T15:28:42,501 copying pele_platform/Examples/PPI/1tnf_ligand.pdb -> build/lib/pele_platform/Examples/PPI 2021-08-04T15:28:42,508 copying pele_platform/Examples/PPI/1tnf_prep.pdb -> build/lib/pele_platform/Examples/PPI 2021-08-04T15:28:42,571 copying pele_platform/Examples/PPI/input.yaml -> build/lib/pele_platform/Examples/PPI 2021-08-04T15:28:42,577 copying pele_platform/Examples/PPI/input_folder.yaml -> build/lib/pele_platform/Examples/PPI 2021-08-04T15:28:42,584 copying pele_platform/Examples/PPI/input_skipref.yaml -> build/lib/pele_platform/Examples/PPI 2021-08-04T15:28:42,590 creating build/lib/pele_platform/Examples/RNA 2021-08-04T15:28:42,592 copying pele_platform/Examples/RNA/2l94.yaml -> build/lib/pele_platform/Examples/RNA 2021-08-04T15:28:42,598 copying pele_platform/Examples/RNA/5C45_prep.pdb -> build/lib/pele_platform/Examples/RNA 2021-08-04T15:28:42,640 copying pele_platform/Examples/RNA/5C45_prep_proc.pdb -> build/lib/pele_platform/Examples/RNA 2021-08-04T15:28:42,683 copying pele_platform/Examples/RNA/input.yaml -> build/lib/pele_platform/Examples/RNA 2021-08-04T15:28:42,690 copying pele_platform/Examples/RNA/input_induced.yaml -> build/lib/pele_platform/Examples/RNA 2021-08-04T15:28:42,696 creating build/lib/pele_platform/Examples/analysis 2021-08-04T15:28:42,698 copying pele_platform/Examples/analysis/input.yaml -> build/lib/pele_platform/Examples/analysis 2021-08-04T15:28:42,705 copying pele_platform/Examples/analysis/input_flags.yaml -> build/lib/pele_platform/Examples/analysis 2021-08-04T15:28:42,712 copying pele_platform/Examples/analysis/input_flags0.yaml -> build/lib/pele_platform/Examples/analysis 2021-08-04T15:28:42,716 copying pele_platform/Examples/analysis/input_xtc.yaml -> build/lib/pele_platform/Examples/analysis 2021-08-04T15:28:42,721 creating build/lib/pele_platform/Examples/analysis/data 2021-08-04T15:28:42,722 copying pele_platform/Examples/analysis/data/MG.rot.assign -> build/lib/pele_platform/Examples/analysis/data 2021-08-04T15:28:42,727 copying pele_platform/Examples/analysis/data/STR.rot.assign -> build/lib/pele_platform/Examples/analysis/data 2021-08-04T15:28:42,731 copying pele_platform/Examples/analysis/data/adaptive.conf -> build/lib/pele_platform/Examples/analysis/data 2021-08-04T15:28:42,737 copying pele_platform/Examples/analysis/data/input.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-08-04T15:28:42,743 copying pele_platform/Examples/analysis/data/input_flags.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-08-04T15:28:42,749 copying pele_platform/Examples/analysis/data/input_flags0.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-08-04T15:28:42,755 copying pele_platform/Examples/analysis/data/input_mae.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-08-04T15:28:42,760 copying pele_platform/Examples/analysis/data/mgz -> build/lib/pele_platform/Examples/analysis/data 2021-08-04T15:28:42,764 copying pele_platform/Examples/analysis/data/pele.conf -> build/lib/pele_platform/Examples/analysis/data 2021-08-04T15:28:42,768 copying pele_platform/Examples/analysis/data/strz -> build/lib/pele_platform/Examples/analysis/data 2021-08-04T15:28:42,772 creating build/lib/pele_platform/Examples/analysis/data/empty_reports_output 2021-08-04T15:28:42,774 creating build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-08-04T15:28:42,777 copying pele_platform/Examples/analysis/data/empty_reports_output/0/report_1 -> build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-08-04T15:28:42,784 copying pele_platform/Examples/analysis/data/empty_reports_output/0/report_2 -> build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-08-04T15:28:42,790 copying pele_platform/Examples/analysis/data/empty_reports_output/0/topologyMapping.txt -> build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-08-04T15:28:42,796 copying pele_platform/Examples/analysis/data/empty_reports_output/0/trajectory_1.pdb -> build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-08-04T15:28:42,838 copying pele_platform/Examples/analysis/data/empty_reports_output/0/trajectory_2.pdb -> build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-08-04T15:28:42,955 creating build/lib/pele_platform/Examples/analysis/data/inputs 2021-08-04T15:28:42,958 copying pele_platform/Examples/analysis/data/inputs/input1.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-08-04T15:28:42,999 copying pele_platform/Examples/analysis/data/inputs/input2.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-08-04T15:28:43,040 copying pele_platform/Examples/analysis/data/inputs/input3.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-08-04T15:28:43,080 creating build/lib/pele_platform/Examples/analysis/data/output 2021-08-04T15:28:43,083 copying pele_platform/Examples/analysis/data/output/originalControlFile.conf -> build/lib/pele_platform/Examples/analysis/data/output 2021-08-04T15:28:43,090 creating build/lib/pele_platform/Examples/analysis/data/output/0 2021-08-04T15:28:43,093 copying pele_platform/Examples/analysis/data/output/0/report_1 -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-08-04T15:28:43,100 copying pele_platform/Examples/analysis/data/output/0/topologyMapping.txt -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-08-04T15:28:43,105 copying pele_platform/Examples/analysis/data/output/0/trajectory_1.pdb -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-08-04T15:28:43,143 creating build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-08-04T15:28:43,145 copying pele_platform/Examples/analysis/data/output/0/clustering/object.pkl -> build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-08-04T15:28:43,187 copying pele_platform/Examples/analysis/data/output/0/clustering/summary.txt -> build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-08-04T15:28:43,193 creating build/lib/pele_platform/Examples/analysis/data/output/synchronization 2021-08-04T15:28:43,196 copying pele_platform/Examples/analysis/data/output/synchronization/syncFile.lock -> build/lib/pele_platform/Examples/analysis/data/output/synchronization 2021-08-04T15:28:43,202 creating build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-08-04T15:28:43,205 copying pele_platform/Examples/analysis/data/output/topologies/topologies.pkl -> build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-08-04T15:28:43,241 copying pele_platform/Examples/analysis/data/output/topologies/topology_0.pdb -> build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-08-04T15:28:43,278 creating build/lib/pele_platform/Examples/analysis/data/xtc 2021-08-04T15:28:43,280 copying pele_platform/Examples/analysis/data/xtc/summary.csv -> build/lib/pele_platform/Examples/analysis/data/xtc 2021-08-04T15:28:43,287 creating build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-08-04T15:28:43,289 copying pele_platform/Examples/analysis/data/xtc/0/report_1 -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-08-04T15:28:43,296 copying pele_platform/Examples/analysis/data/xtc/0/report_2 -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-08-04T15:28:43,303 copying pele_platform/Examples/analysis/data/xtc/0/trajectory_1.xtc -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-08-04T15:28:43,309 copying pele_platform/Examples/analysis/data/xtc/0/trajectory_2.xtc -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-08-04T15:28:43,315 creating build/lib/pele_platform/Examples/analysis/data/xtc/topologies 2021-08-04T15:28:43,317 copying pele_platform/Examples/analysis/data/xtc/topologies/topology_0.pdb -> build/lib/pele_platform/Examples/analysis/data/xtc/topologies 2021-08-04T15:28:43,334 creating build/lib/pele_platform/Examples/bias 2021-08-04T15:28:43,336 copying pele_platform/Examples/bias/complex.pdb -> build/lib/pele_platform/Examples/bias 2021-08-04T15:28:43,376 copying pele_platform/Examples/bias/input_defaults.yaml -> build/lib/pele_platform/Examples/bias 2021-08-04T15:28:43,382 creating build/lib/pele_platform/Examples/box 2021-08-04T15:28:43,385 copying pele_platform/Examples/box/input.yaml -> build/lib/pele_platform/Examples/box 2021-08-04T15:28:43,391 creating build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,394 copying pele_platform/Examples/checker/complex.pdb -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,443 copying pele_platform/Examples/checker/complex2.pdb -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,470 copying pele_platform/Examples/checker/complex_unk.yaml -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,539 copying pele_platform/Examples/checker/incompatible_flags.yaml -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,547 copying pele_platform/Examples/checker/input.yaml -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,555 copying pele_platform/Examples/checker/input_atom_string.yaml -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,563 copying pele_platform/Examples/checker/input_env.yaml -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,569 copying pele_platform/Examples/checker/input_map_atom_num.yaml -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,575 copying pele_platform/Examples/checker/input_map_atom_str.yaml -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,580 copying pele_platform/Examples/checker/input_pele_exec.yaml -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,584 copying pele_platform/Examples/checker/input_rotamer.yaml -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,590 copying pele_platform/Examples/checker/input_space.yaml -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,596 copying pele_platform/Examples/checker/input_tab.yaml -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,603 copying pele_platform/Examples/checker/input_template.yaml -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,608 copying pele_platform/Examples/checker/input_underscore.yaml -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,613 copying pele_platform/Examples/checker/input_unk.yaml -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,617 copying pele_platform/Examples/checker/ligand2.pdb -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,623 copying pele_platform/Examples/checker/mapping_complex.pdb -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,688 copying pele_platform/Examples/checker/multiple_simulations.yaml -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,694 copying pele_platform/Examples/checker/negative_residues.pdb -> build/lib/pele_platform/Examples/checker 2021-08-04T15:28:43,701 creating build/lib/pele_platform/Examples/clustering 2021-08-04T15:28:43,703 copying pele_platform/Examples/clustering/summary.csv -> build/lib/pele_platform/Examples/clustering 2021-08-04T15:28:43,710 creating build/lib/pele_platform/Examples/clustering/0 2021-08-04T15:28:43,711 copying pele_platform/Examples/clustering/0/report_1 -> build/lib/pele_platform/Examples/clustering/0 2021-08-04T15:28:43,717 copying pele_platform/Examples/clustering/0/report_2 -> build/lib/pele_platform/Examples/clustering/0 2021-08-04T15:28:43,721 copying pele_platform/Examples/clustering/0/report_3 -> build/lib/pele_platform/Examples/clustering/0 2021-08-04T15:28:43,726 copying pele_platform/Examples/clustering/0/report_4 -> build/lib/pele_platform/Examples/clustering/0 2021-08-04T15:28:43,731 copying pele_platform/Examples/clustering/0/topologyMapping.txt -> build/lib/pele_platform/Examples/clustering/0 2021-08-04T15:28:43,737 copying pele_platform/Examples/clustering/0/trajectory_1.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-08-04T15:28:43,809 copying pele_platform/Examples/clustering/0/trajectory_2.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-08-04T15:28:43,848 copying pele_platform/Examples/clustering/0/trajectory_3.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-08-04T15:28:43,917 copying pele_platform/Examples/clustering/0/trajectory_4.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-08-04T15:28:43,990 creating build/lib/pele_platform/Examples/clustering/0/clustering 2021-08-04T15:28:43,994 copying pele_platform/Examples/clustering/0/clustering/object.pkl -> build/lib/pele_platform/Examples/clustering/0/clustering 2021-08-04T15:28:44,220 copying pele_platform/Examples/clustering/0/clustering/summary.txt -> build/lib/pele_platform/Examples/clustering/0/clustering 2021-08-04T15:28:44,228 creating build/lib/pele_platform/Examples/clustering_xtc 2021-08-04T15:28:44,232 copying pele_platform/Examples/clustering_xtc/water_clustering.yaml -> build/lib/pele_platform/Examples/clustering_xtc 2021-08-04T15:28:44,240 creating build/lib/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:44,243 copying pele_platform/Examples/clustering_xtc/0/report_1 -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:44,249 copying pele_platform/Examples/clustering_xtc/0/report_2 -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:44,255 copying pele_platform/Examples/clustering_xtc/0/report_3 -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:44,261 copying pele_platform/Examples/clustering_xtc/0/report_4 -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:44,266 copying pele_platform/Examples/clustering_xtc/0/topology.pdb -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:44,303 copying pele_platform/Examples/clustering_xtc/0/trajectory_1.xtc -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:44,315 copying pele_platform/Examples/clustering_xtc/0/trajectory_2.xtc -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:44,325 copying pele_platform/Examples/clustering_xtc/0/trajectory_3.xtc -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:44,334 copying pele_platform/Examples/clustering_xtc/0/trajectory_4.xtc -> build/lib/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:44,343 creating build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,347 copying pele_platform/Examples/constraints/1zop.pdb -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,379 copying pele_platform/Examples/constraints/4l3a_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,433 copying pele_platform/Examples/constraints/4qnr_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,487 copying pele_platform/Examples/constraints/4w4o_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,522 copying pele_platform/Examples/constraints/4w5i_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,556 copying pele_platform/Examples/constraints/4zu9_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,670 copying pele_platform/Examples/constraints/ca_constraints.pdb -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,738 copying pele_platform/Examples/constraints/complex_smiles_error.pdb -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,783 copying pele_platform/Examples/constraints/fail_input_permissive_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,791 copying pele_platform/Examples/constraints/input_all_metal_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,798 copying pele_platform/Examples/constraints/input_ca_noppp.yaml -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,806 copying pele_platform/Examples/constraints/input_ca_ppp.yaml -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,813 copying pele_platform/Examples/constraints/input_constrain_smarts.yaml -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,819 copying pele_platform/Examples/constraints/input_constrain_smiles.yaml -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,824 copying pele_platform/Examples/constraints/input_external_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,829 copying pele_platform/Examples/constraints/input_ignore.yaml -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,835 copying pele_platform/Examples/constraints/input_k.yaml -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,840 copying pele_platform/Examples/constraints/input_metals.yaml -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,846 copying pele_platform/Examples/constraints/input_no_metal_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,851 copying pele_platform/Examples/constraints/input_permissive_exception.yaml -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,856 copying pele_platform/Examples/constraints/input_smiles_error.yaml -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,862 copying pele_platform/Examples/constraints/input_square_planar.yaml -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,867 copying pele_platform/Examples/constraints/input_square_planar_polarisation.yaml -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,872 copying pele_platform/Examples/constraints/input_tetrahedral.yaml -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,878 copying pele_platform/Examples/constraints/no_connects.pdb -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,883 copying pele_platform/Examples/constraints/pass_input_permissive_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-08-04T15:28:44,888 creating build/lib/pele_platform/Examples/covalent_docking 2021-08-04T15:28:44,891 copying pele_platform/Examples/covalent_docking/5XXD_prepared.pdb -> build/lib/pele_platform/Examples/covalent_docking 2021-08-04T15:28:44,950 copying pele_platform/Examples/covalent_docking/6M06_prepared.pdb -> build/lib/pele_platform/Examples/covalent_docking 2021-08-04T15:28:45,005 copying pele_platform/Examples/covalent_docking/6P0M_prepared.pdb -> build/lib/pele_platform/Examples/covalent_docking 2021-08-04T15:28:45,045 copying pele_platform/Examples/covalent_docking/input1.yaml -> build/lib/pele_platform/Examples/covalent_docking 2021-08-04T15:28:45,053 copying pele_platform/Examples/covalent_docking/input2.yaml -> build/lib/pele_platform/Examples/covalent_docking 2021-08-04T15:28:45,059 copying pele_platform/Examples/covalent_docking/input3.yaml -> build/lib/pele_platform/Examples/covalent_docking 2021-08-04T15:28:45,064 copying pele_platform/Examples/covalent_docking/input_defaults.yaml -> build/lib/pele_platform/Examples/covalent_docking 2021-08-04T15:28:45,070 copying pele_platform/Examples/covalent_docking/input_defaults_refinement.yaml -> build/lib/pele_platform/Examples/covalent_docking 2021-08-04T15:28:45,075 creating build/lib/pele_platform/Examples/enzyme_engineering 2021-08-04T15:28:45,078 copying pele_platform/Examples/enzyme_engineering/restart_saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering 2021-08-04T15:28:45,083 copying pele_platform/Examples/enzyme_engineering/saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering 2021-08-04T15:28:45,089 copying pele_platform/Examples/enzyme_engineering/wrong_cpus.yaml -> build/lib/pele_platform/Examples/enzyme_engineering 2021-08-04T15:28:45,094 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-08-04T15:28:45,097 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/completed_mutations.log -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-08-04T15:28:45,101 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-08-04T15:28:45,103 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/ANL.mae -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-08-04T15:28:45,108 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/adaptive.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-08-04T15:28:45,113 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/pele.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-08-04T15:28:45,120 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/restart_saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-08-04T15:28:45,126 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal 2021-08-04T15:28:45,127 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-08-04T15:28:45,130 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs/ANL.rot.assign -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-08-04T15:28:45,138 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates 2021-08-04T15:28:45,139 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005 2021-08-04T15:28:45,140 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-08-04T15:28:45,143 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms/anlz -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-08-04T15:28:45,149 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-08-04T15:28:45,151 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454A.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-08-04T15:28:45,212 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454A_processed.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-08-04T15:28:45,276 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454D.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-08-04T15:28:45,339 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454D_processed.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-08-04T15:28:45,403 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/ligand.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-08-04T15:28:45,409 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/receptor.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-08-04T15:28:45,473 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-08-04T15:28:45,475 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/originalControlFile.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-08-04T15:28:45,482 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-08-04T15:28:45,485 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/topologyMapping.txt -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-08-04T15:28:45,491 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-08-04T15:28:45,494 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering/object.pkl -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-08-04T15:28:45,501 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering/summary.txt -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-08-04T15:28:45,507 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-08-04T15:28:45,509 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/report_1 -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-08-04T15:28:45,514 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/report_3 -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-08-04T15:28:45,519 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/trajectory_1.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-08-04T15:28:45,633 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/trajectory_3.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-08-04T15:28:45,753 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-08-04T15:28:45,757 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/report_2 -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-08-04T15:28:45,765 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/report_4 -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-08-04T15:28:45,771 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/trajectory_2.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-08-04T15:28:45,885 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/trajectory_4.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-08-04T15:28:46,001 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-08-04T15:28:46,004 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization/syncFile.lock -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-08-04T15:28:46,012 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-08-04T15:28:46,015 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topologies.pkl -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-08-04T15:28:46,119 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topology_0.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-08-04T15:28:46,180 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topology_1.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-08-04T15:28:46,243 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-08-04T15:28:46,245 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/controlFile0.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-08-04T15:28:46,253 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/initial_0_0.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-08-04T15:28:46,313 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/initial_0_1.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-08-04T15:28:46,373 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-08-04T15:28:46,375 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/ANL.mae -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-08-04T15:28:46,381 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/adaptive.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-08-04T15:28:46,387 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/pele.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-08-04T15:28:46,393 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/restart_saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-08-04T15:28:46,398 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-08-04T15:28:46,400 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/T454E.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-08-04T15:28:46,461 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/T454E_processed.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-08-04T15:28:46,525 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/ligand.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-08-04T15:28:46,531 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/receptor.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-08-04T15:28:46,593 creating build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-08-04T15:28:46,595 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454A.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-08-04T15:28:46,657 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454D.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-08-04T15:28:46,721 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454E.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-08-04T15:28:46,786 creating build/lib/pele_platform/Examples/exit 2021-08-04T15:28:46,788 copying pele_platform/Examples/exit/input.yaml -> build/lib/pele_platform/Examples/exit 2021-08-04T15:28:46,793 copying pele_platform/Examples/exit/input_defaults.yaml -> build/lib/pele_platform/Examples/exit 2021-08-04T15:28:46,798 creating build/lib/pele_platform/Examples/exit_soft 2021-08-04T15:28:46,800 copying pele_platform/Examples/exit_soft/input.yaml -> build/lib/pele_platform/Examples/exit_soft 2021-08-04T15:28:46,805 copying pele_platform/Examples/exit_soft/input_defaults.yaml -> build/lib/pele_platform/Examples/exit_soft 2021-08-04T15:28:46,810 creating build/lib/pele_platform/Examples/flags 2021-08-04T15:28:46,812 copying pele_platform/Examples/flags/input.yaml -> build/lib/pele_platform/Examples/flags 2021-08-04T15:28:46,818 creating build/lib/pele_platform/Examples/frag 2021-08-04T15:28:46,820 copying pele_platform/Examples/frag/1dyi_no_waters.pdb -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:46,846 copying pele_platform/Examples/frag/1dyi_waters.pdb -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:46,873 copying pele_platform/Examples/frag/1w7h_preparation_structure_2w.pdb -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:46,923 copying pele_platform/Examples/frag/1w7h_preparation_structure_2w_processed.pdb -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:46,973 copying pele_platform/Examples/frag/amino.pdb -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:46,980 copying pele_platform/Examples/frag/core.pdb -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:46,987 copying pele_platform/Examples/frag/flags.conf -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:46,993 copying pele_platform/Examples/frag/input_ai.yaml -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:46,998 copying pele_platform/Examples/frag/input_core.yaml -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:47,003 copying pele_platform/Examples/frag/input_core_sdf.yaml -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:47,008 copying pele_platform/Examples/frag/input_flags.yaml -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:47,015 copying pele_platform/Examples/frag/input_frag_waters.yaml -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:47,022 copying pele_platform/Examples/frag/input_fragment_atom.yaml -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:47,028 copying pele_platform/Examples/frag/input_lib_pdb.yaml -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:47,033 copying pele_platform/Examples/frag/input_lib_sdf.yaml -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:47,038 copying pele_platform/Examples/frag/input_point_analysis.yaml -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:47,043 copying pele_platform/Examples/frag/input_sim.yaml -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:47,048 copying pele_platform/Examples/frag/input_sim_xtc.yaml -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:47,053 copying pele_platform/Examples/frag/input_symmetry.yaml -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:47,058 copying pele_platform/Examples/frag/ligands.sdf -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:47,063 copying pele_platform/Examples/frag/ligands_water.sdf -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:47,069 copying pele_platform/Examples/frag/sequential.conf -> build/lib/pele_platform/Examples/frag 2021-08-04T15:28:47,074 creating build/lib/pele_platform/Examples/frag/analysis_data 2021-08-04T15:28:47,075 creating build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1 2021-08-04T15:28:47,077 creating build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-08-04T15:28:47,080 copying pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result/epochsampling_result_trajectory_1.1_BindingEnergy-23.4636.pdb -> build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-08-04T15:28:47,129 copying pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result/epochsampling_result_trajectory_2.1_BindingEnergy-25.1634.pdb -> build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-08-04T15:28:47,179 creating build/lib/pele_platform/Examples/frag/checker 2021-08-04T15:28:47,181 copying pele_platform/Examples/frag/checker/4RFM_proc.pdb -> build/lib/pele_platform/Examples/frag/checker 2021-08-04T15:28:47,186 copying pele_platform/Examples/frag/checker/4RFM_series.sdf -> build/lib/pele_platform/Examples/frag/checker 2021-08-04T15:28:47,193 copying pele_platform/Examples/frag/checker/receptor.sdf -> build/lib/pele_platform/Examples/frag/checker 2021-08-04T15:28:47,225 creating build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-08-04T15:28:47,227 copying pele_platform/Examples/frag/pdb_test_lib/mol1.pdb -> build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-08-04T15:28:47,234 copying pele_platform/Examples/frag/pdb_test_lib/mol2.pdb -> build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-08-04T15:28:47,241 creating build/lib/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:47,243 copying pele_platform/Examples/frag/sdf_joiner/13_serie.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:47,257 copying pele_platform/Examples/frag/sdf_joiner/4RFM_core_sc.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:47,309 copying pele_platform/Examples/frag/sdf_joiner/4RFM_proc.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:47,361 copying pele_platform/Examples/frag/sdf_joiner/4RFM_series.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:47,369 copying pele_platform/Examples/frag/sdf_joiner/core2.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:47,408 copying pele_platform/Examples/frag/sdf_joiner/core3.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:47,426 copying pele_platform/Examples/frag/sdf_joiner/frag.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:47,435 copying pele_platform/Examples/frag/sdf_joiner/frag.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:47,442 copying pele_platform/Examples/frag/sdf_joiner/frag2.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:47,453 copying pele_platform/Examples/frag/sdf_joiner/frag2.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:47,458 copying pele_platform/Examples/frag/sdf_joiner/frag3.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:47,468 copying pele_platform/Examples/frag/sdf_joiner/frag3.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:47,473 copying pele_platform/Examples/frag/sdf_joiner/frag31.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:47,484 copying pele_platform/Examples/frag/sdf_joiner/frag4.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:47,491 copying pele_platform/Examples/frag/sdf_joiner/frag5.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:47,497 copying pele_platform/Examples/frag/sdf_joiner/glide-dockSARS_core.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:47,577 creating build/lib/pele_platform/Examples/frag/sdf_test_lib 2021-08-04T15:28:47,580 copying pele_platform/Examples/frag/sdf_test_lib/test_library.sdf -> build/lib/pele_platform/Examples/frag/sdf_test_lib 2021-08-04T15:28:47,587 creating build/lib/pele_platform/Examples/global 2021-08-04T15:28:47,590 copying pele_platform/Examples/global/input.yaml -> build/lib/pele_platform/Examples/global 2021-08-04T15:28:47,596 copying pele_platform/Examples/global/input_defaults.yaml -> build/lib/pele_platform/Examples/global 2021-08-04T15:28:47,601 copying pele_platform/Examples/global/input_inputs.yaml -> build/lib/pele_platform/Examples/global 2021-08-04T15:28:47,605 copying pele_platform/Examples/global/input_inputs_asterisc.yaml -> build/lib/pele_platform/Examples/global 2021-08-04T15:28:47,610 creating build/lib/pele_platform/Examples/gpcr 2021-08-04T15:28:47,612 copying pele_platform/Examples/gpcr/complex.pdb -> build/lib/pele_platform/Examples/gpcr 2021-08-04T15:28:47,652 copying pele_platform/Examples/gpcr/complex_processed.pdb -> build/lib/pele_platform/Examples/gpcr 2021-08-04T15:28:47,693 copying pele_platform/Examples/gpcr/input.yaml -> build/lib/pele_platform/Examples/gpcr 2021-08-04T15:28:47,698 copying pele_platform/Examples/gpcr/input_atom_error.yaml -> build/lib/pele_platform/Examples/gpcr 2021-08-04T15:28:47,704 copying pele_platform/Examples/gpcr/input_defaults.yaml -> build/lib/pele_platform/Examples/gpcr 2021-08-04T15:28:47,710 copying pele_platform/Examples/gpcr/input_defaults2.yaml -> build/lib/pele_platform/Examples/gpcr 2021-08-04T15:28:47,716 creating build/lib/pele_platform/Examples/induced_fit 2021-08-04T15:28:47,719 copying pele_platform/Examples/induced_fit/input_exhaustive.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-08-04T15:28:47,723 copying pele_platform/Examples/induced_fit/input_exhaustive_defaults.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-08-04T15:28:47,728 copying pele_platform/Examples/induced_fit/input_fast.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-08-04T15:28:47,732 copying pele_platform/Examples/induced_fit/input_fast_defaults.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-08-04T15:28:47,737 copying pele_platform/Examples/induced_fit/input_mae.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-08-04T15:28:47,742 creating build/lib/pele_platform/Examples/inputs 2021-08-04T15:28:47,745 copying pele_platform/Examples/inputs/input.yaml -> build/lib/pele_platform/Examples/inputs 2021-08-04T15:28:47,752 copying pele_platform/Examples/inputs/mn4.sl -> build/lib/pele_platform/Examples/inputs 2021-08-04T15:28:47,758 copying pele_platform/Examples/inputs/nord3.sge -> build/lib/pele_platform/Examples/inputs 2021-08-04T15:28:47,765 creating build/lib/pele_platform/Examples/interaction_restrictions 2021-08-04T15:28:47,767 copying pele_platform/Examples/interaction_restrictions/complex.pdb -> build/lib/pele_platform/Examples/interaction_restrictions 2021-08-04T15:28:47,834 copying pele_platform/Examples/interaction_restrictions/input.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-08-04T15:28:47,839 copying pele_platform/Examples/interaction_restrictions/input_error.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-08-04T15:28:47,845 copying pele_platform/Examples/interaction_restrictions/input_error_2.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-08-04T15:28:47,851 creating build/lib/pele_platform/Examples/interaction_restrictions/out 2021-08-04T15:28:47,854 copying pele_platform/Examples/interaction_restrictions/out/expected_conditions.txt -> build/lib/pele_platform/Examples/interaction_restrictions/out 2021-08-04T15:28:47,861 copying pele_platform/Examples/interaction_restrictions/out/expected_metrics.txt -> build/lib/pele_platform/Examples/interaction_restrictions/out 2021-08-04T15:28:47,865 creating build/lib/pele_platform/Examples/ligand_conformations 2021-08-04T15:28:47,867 copying pele_platform/Examples/ligand_conformations/1.pdb -> build/lib/pele_platform/Examples/ligand_conformations 2021-08-04T15:28:47,872 copying pele_platform/Examples/ligand_conformations/2.pdb -> build/lib/pele_platform/Examples/ligand_conformations 2021-08-04T15:28:47,878 copying pele_platform/Examples/ligand_conformations/3.pdb -> build/lib/pele_platform/Examples/ligand_conformations 2021-08-04T15:28:47,884 copying pele_platform/Examples/ligand_conformations/input.yaml -> build/lib/pele_platform/Examples/ligand_conformations 2021-08-04T15:28:47,891 creating build/lib/pele_platform/Examples/minimum_steps 2021-08-04T15:28:47,895 copying pele_platform/Examples/minimum_steps/complex.pdb -> build/lib/pele_platform/Examples/minimum_steps 2021-08-04T15:28:47,964 copying pele_platform/Examples/minimum_steps/input.yaml -> build/lib/pele_platform/Examples/minimum_steps 2021-08-04T15:28:47,971 creating build/lib/pele_platform/Examples/out_in 2021-08-04T15:28:47,975 copying pele_platform/Examples/out_in/1_3ZON_complex.pdb -> build/lib/pele_platform/Examples/out_in 2021-08-04T15:28:48,018 copying pele_platform/Examples/out_in/input.yaml -> build/lib/pele_platform/Examples/out_in 2021-08-04T15:28:48,026 copying pele_platform/Examples/out_in/input_box_center.yaml -> build/lib/pele_platform/Examples/out_in 2021-08-04T15:28:48,034 copying pele_platform/Examples/out_in/input_default.yaml -> build/lib/pele_platform/Examples/out_in 2021-08-04T15:28:48,042 copying pele_platform/Examples/out_in/input_flag_error.yaml -> build/lib/pele_platform/Examples/out_in 2021-08-04T15:28:48,048 copying pele_platform/Examples/out_in/input_metrics.yaml -> build/lib/pele_platform/Examples/out_in 2021-08-04T15:28:48,054 creating build/lib/pele_platform/Examples/pca 2021-08-04T15:28:48,057 copying pele_platform/Examples/pca/1.pdb -> build/lib/pele_platform/Examples/pca 2021-08-04T15:28:48,101 copying pele_platform/Examples/pca/2.pdb -> build/lib/pele_platform/Examples/pca 2021-08-04T15:28:48,145 copying pele_platform/Examples/pca/3.pdb -> build/lib/pele_platform/Examples/pca 2021-08-04T15:28:48,187 copying pele_platform/Examples/pca/input.yaml -> build/lib/pele_platform/Examples/pca 2021-08-04T15:28:48,193 copying pele_platform/Examples/pca/input_str.yaml -> build/lib/pele_platform/Examples/pca 2021-08-04T15:28:48,199 creating build/lib/pele_platform/Examples/preparation 2021-08-04T15:28:48,202 copying pele_platform/Examples/preparation/6qmk_correct.pdb -> build/lib/pele_platform/Examples/preparation 2021-08-04T15:28:48,252 copying pele_platform/Examples/preparation/6qmk_repeated.pdb -> build/lib/pele_platform/Examples/preparation 2021-08-04T15:28:48,308 copying pele_platform/Examples/preparation/complex.pdb -> build/lib/pele_platform/Examples/preparation 2021-08-04T15:28:48,344 copying pele_platform/Examples/preparation/complex_2.pdb -> build/lib/pele_platform/Examples/preparation 2021-08-04T15:28:48,401 copying pele_platform/Examples/preparation/input.yaml -> build/lib/pele_platform/Examples/preparation 2021-08-04T15:28:48,406 copying pele_platform/Examples/preparation/input_nonstandard.yaml -> build/lib/pele_platform/Examples/preparation 2021-08-04T15:28:48,411 copying pele_platform/Examples/preparation/input_space.yaml -> build/lib/pele_platform/Examples/preparation 2021-08-04T15:28:48,416 copying pele_platform/Examples/preparation/parametrization_flags.yaml -> build/lib/pele_platform/Examples/preparation 2021-08-04T15:28:48,422 creating build/lib/pele_platform/Examples/production 2021-08-04T15:28:48,425 copying pele_platform/Examples/production/input.sl -> build/lib/pele_platform/Examples/production 2021-08-04T15:28:48,432 copying pele_platform/Examples/production/input_mae.yaml -> build/lib/pele_platform/Examples/production 2021-08-04T15:28:48,438 creating build/lib/pele_platform/Examples/rescoring 2021-08-04T15:28:48,440 copying pele_platform/Examples/rescoring/input.yaml -> build/lib/pele_platform/Examples/rescoring 2021-08-04T15:28:48,445 copying pele_platform/Examples/rescoring/input_defaults.yaml -> build/lib/pele_platform/Examples/rescoring 2021-08-04T15:28:48,450 creating build/lib/pele_platform/Examples/restart 2021-08-04T15:28:48,452 copying pele_platform/Examples/restart/restart.yaml -> build/lib/pele_platform/Examples/restart 2021-08-04T15:28:48,456 creating build/lib/pele_platform/Examples/singularity 2021-08-04T15:28:48,459 copying pele_platform/Examples/singularity/input_adaptive.yaml -> build/lib/pele_platform/Examples/singularity 2021-08-04T15:28:48,464 copying pele_platform/Examples/singularity/input_frag.yaml -> build/lib/pele_platform/Examples/singularity 2021-08-04T15:28:48,468 creating build/lib/pele_platform/Examples/site_finder 2021-08-04T15:28:48,470 copying pele_platform/Examples/site_finder/complex.pdb -> build/lib/pele_platform/Examples/site_finder 2021-08-04T15:28:48,517 copying pele_platform/Examples/site_finder/global.yaml -> build/lib/pele_platform/Examples/site_finder 2021-08-04T15:28:48,524 copying pele_platform/Examples/site_finder/input_folder.yaml -> build/lib/pele_platform/Examples/site_finder 2021-08-04T15:28:48,531 copying pele_platform/Examples/site_finder/input_global.yaml -> build/lib/pele_platform/Examples/site_finder 2021-08-04T15:28:48,537 copying pele_platform/Examples/site_finder/input_global_xtc.yaml -> build/lib/pele_platform/Examples/site_finder 2021-08-04T15:28:48,542 copying pele_platform/Examples/site_finder/input_restart.yaml -> build/lib/pele_platform/Examples/site_finder 2021-08-04T15:28:48,547 copying pele_platform/Examples/site_finder/input_skipref.yaml -> build/lib/pele_platform/Examples/site_finder 2021-08-04T15:28:48,552 copying pele_platform/Examples/site_finder/local.yaml -> build/lib/pele_platform/Examples/site_finder 2021-08-04T15:28:48,557 creating build/lib/pele_platform/Examples/tutorials 2021-08-04T15:28:48,557 creating build/lib/pele_platform/Examples/tutorials/gpcr 2021-08-04T15:28:48,560 copying pele_platform/Examples/tutorials/gpcr/complex.pdb -> build/lib/pele_platform/Examples/tutorials/gpcr 2021-08-04T15:28:48,603 copying pele_platform/Examples/tutorials/gpcr/input.yaml -> build/lib/pele_platform/Examples/tutorials/gpcr 2021-08-04T15:28:48,609 creating build/lib/pele_platform/Examples/tutorials/induced_fit 2021-08-04T15:28:48,612 copying pele_platform/Examples/tutorials/induced_fit/docking.pdb -> build/lib/pele_platform/Examples/tutorials/induced_fit 2021-08-04T15:28:48,681 copying pele_platform/Examples/tutorials/induced_fit/input.yaml -> build/lib/pele_platform/Examples/tutorials/induced_fit 2021-08-04T15:28:48,686 creating build/lib/pele_platform/Examples/tutorials/ppi 2021-08-04T15:28:48,688 copying pele_platform/Examples/tutorials/ppi/4yy6_ligand.pdb -> build/lib/pele_platform/Examples/tutorials/ppi 2021-08-04T15:28:48,694 copying pele_platform/Examples/tutorials/ppi/4yy6_prep.pdb -> build/lib/pele_platform/Examples/tutorials/ppi 2021-08-04T15:28:48,718 copying pele_platform/Examples/tutorials/ppi/input.yaml -> build/lib/pele_platform/Examples/tutorials/ppi 2021-08-04T15:28:48,723 creating build/lib/pele_platform/Examples/water 2021-08-04T15:28:48,727 copying pele_platform/Examples/water/complex_induced.pdb -> build/lib/pele_platform/Examples/water 2021-08-04T15:28:48,746 copying pele_platform/Examples/water/complex_ref_LESSH2O.pdb -> build/lib/pele_platform/Examples/water 2021-08-04T15:28:48,793 copying pele_platform/Examples/water/input_all.yaml -> build/lib/pele_platform/Examples/water 2021-08-04T15:28:48,800 copying pele_platform/Examples/water/input_bs.yaml -> build/lib/pele_platform/Examples/water 2021-08-04T15:28:48,805 copying pele_platform/Examples/water/input_bs_defaults.yaml -> build/lib/pele_platform/Examples/water 2021-08-04T15:28:48,810 copying pele_platform/Examples/water/input_induced.yaml -> build/lib/pele_platform/Examples/water 2021-08-04T15:28:48,815 copying pele_platform/Examples/water/input_lig.yaml -> build/lib/pele_platform/Examples/water 2021-08-04T15:28:48,820 copying pele_platform/Examples/water/input_lig_defaults.yaml -> build/lib/pele_platform/Examples/water 2021-08-04T15:28:48,825 copying pele_platform/Examples/water/input_nwaters.yaml -> build/lib/pele_platform/Examples/water 2021-08-04T15:28:48,830 copying pele_platform/Examples/water/input_previous_water.yaml -> build/lib/pele_platform/Examples/water 2021-08-04T15:28:48,835 copying pele_platform/Examples/water/water2_pele.conf -> build/lib/pele_platform/Examples/water 2021-08-04T15:28:48,840 copying pele_platform/Examples/water/water_pele.conf -> build/lib/pele_platform/Examples/water 2021-08-04T15:28:48,846 copying pele_platform/Examples/water/water_processed.pdb -> build/lib/pele_platform/Examples/water 2021-08-04T15:28:48,894 creating build/lib/pele_platform/Templates 2021-08-04T15:28:48,897 copying pele_platform/Templates/pele_template.conf -> build/lib/pele_platform/Templates 2021-08-04T15:28:48,905 copying pele_platform/Templates/solventParamsHCTOBC.txt -> build/lib/pele_platform/Templates 2021-08-04T15:28:48,916 copying pele_platform/Templates/template_adaptive.conf -> build/lib/pele_platform/Templates 2021-08-04T15:28:48,961 UPDATING build/lib/pele_platform/_version.py 2021-08-04T15:28:48,964 set build/lib/pele_platform/_version.py to '1.6.0rc2' 2021-08-04T15:28:48,970 installing to build/bdist.linux-armv7l/wheel 2021-08-04T15:28:48,971 running install 2021-08-04T15:28:48,973 running install_lib 2021-08-04T15:28:48,982 creating build/bdist.linux-armv7l 2021-08-04T15:28:48,982 creating build/bdist.linux-armv7l/wheel 2021-08-04T15:28:48,987 creating build/bdist.linux-armv7l/wheel/pele_platform 2021-08-04T15:28:48,990 creating build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-08-04T15:28:48,992 copying build/lib/pele_platform/analysis/pdf_report.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-08-04T15:28:48,997 copying build/lib/pele_platform/analysis/data.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-08-04T15:28:49,005 copying build/lib/pele_platform/analysis/interactive_plot.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-08-04T15:28:49,012 copying build/lib/pele_platform/analysis/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-08-04T15:28:49,016 copying build/lib/pele_platform/analysis/plot.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-08-04T15:28:49,022 copying build/lib/pele_platform/analysis/analysis.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-08-04T15:28:49,033 copying build/lib/pele_platform/analysis/clustering.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-08-04T15:28:49,040 creating build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-08-04T15:28:49,042 copying build/lib/pele_platform/site_finder/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-08-04T15:28:49,048 copying build/lib/pele_platform/site_finder/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-08-04T15:28:49,055 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples 2021-08-04T15:28:49,060 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-08-04T15:28:49,063 copying build/lib/pele_platform/Examples/analysis/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-08-04T15:28:49,069 copying build/lib/pele_platform/Examples/analysis/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-08-04T15:28:49,073 copying build/lib/pele_platform/Examples/analysis/input_flags0.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-08-04T15:28:49,079 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-08-04T15:28:49,081 copying build/lib/pele_platform/Examples/analysis/data/MG.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-08-04T15:28:49,085 copying build/lib/pele_platform/Examples/analysis/data/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-08-04T15:28:49,089 copying build/lib/pele_platform/Examples/analysis/data/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-08-04T15:28:49,094 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-08-04T15:28:49,096 copying build/lib/pele_platform/Examples/analysis/data/inputs/input1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-08-04T15:28:49,135 copying build/lib/pele_platform/Examples/analysis/data/inputs/input2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-08-04T15:28:49,175 copying build/lib/pele_platform/Examples/analysis/data/inputs/input3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-08-04T15:28:49,217 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/empty_reports_output 2021-08-04T15:28:49,221 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-08-04T15:28:49,224 copying build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-08-04T15:28:49,230 copying build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0/trajectory_2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-08-04T15:28:49,342 copying build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0/topologyMapping.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-08-04T15:28:49,347 copying build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-08-04T15:28:49,353 copying build/lib/pele_platform/Examples/analysis/data/empty_reports_output/0/trajectory_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/empty_reports_output/0 2021-08-04T15:28:49,395 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output 2021-08-04T15:28:49,400 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/topologies 2021-08-04T15:28:49,403 copying build/lib/pele_platform/Examples/analysis/data/output/topologies/topology_0.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/topologies 2021-08-04T15:28:49,443 copying build/lib/pele_platform/Examples/analysis/data/output/topologies/topologies.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/topologies 2021-08-04T15:28:49,479 copying build/lib/pele_platform/Examples/analysis/data/output/originalControlFile.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output 2021-08-04T15:28:49,486 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/synchronization 2021-08-04T15:28:49,488 copying build/lib/pele_platform/Examples/analysis/data/output/synchronization/syncFile.lock -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/synchronization 2021-08-04T15:28:49,496 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-08-04T15:28:49,499 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0/clustering 2021-08-04T15:28:49,502 copying build/lib/pele_platform/Examples/analysis/data/output/0/clustering/object.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0/clustering 2021-08-04T15:28:49,540 copying build/lib/pele_platform/Examples/analysis/data/output/0/clustering/summary.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0/clustering 2021-08-04T15:28:49,545 copying build/lib/pele_platform/Examples/analysis/data/output/0/topologyMapping.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-08-04T15:28:49,551 copying build/lib/pele_platform/Examples/analysis/data/output/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-08-04T15:28:49,557 copying build/lib/pele_platform/Examples/analysis/data/output/0/trajectory_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-08-04T15:28:49,596 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc 2021-08-04T15:28:49,601 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/topologies 2021-08-04T15:28:49,606 copying build/lib/pele_platform/Examples/analysis/data/xtc/topologies/topology_0.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/topologies 2021-08-04T15:28:49,622 copying build/lib/pele_platform/Examples/analysis/data/xtc/summary.csv -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc 2021-08-04T15:28:49,628 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-08-04T15:28:49,631 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-08-04T15:28:49,636 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-08-04T15:28:49,642 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/trajectory_1.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-08-04T15:28:49,650 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/trajectory_2.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-08-04T15:28:49,658 copying build/lib/pele_platform/Examples/analysis/data/STR.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-08-04T15:28:49,662 copying build/lib/pele_platform/Examples/analysis/data/pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-08-04T15:28:49,668 copying build/lib/pele_platform/Examples/analysis/data/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-08-04T15:28:49,672 copying build/lib/pele_platform/Examples/analysis/data/input_flags0.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-08-04T15:28:49,677 copying build/lib/pele_platform/Examples/analysis/data/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-08-04T15:28:49,682 copying build/lib/pele_platform/Examples/analysis/data/strz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-08-04T15:28:49,686 copying build/lib/pele_platform/Examples/analysis/data/mgz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-08-04T15:28:49,690 copying build/lib/pele_platform/Examples/analysis/input_xtc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-08-04T15:28:49,696 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,697 copying build/lib/pele_platform/Examples/checker/complex2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,723 copying build/lib/pele_platform/Examples/checker/input_unk.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,726 copying build/lib/pele_platform/Examples/checker/ligand2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,731 copying build/lib/pele_platform/Examples/checker/multiple_simulations.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,735 copying build/lib/pele_platform/Examples/checker/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,739 copying build/lib/pele_platform/Examples/checker/input_atom_string.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,744 copying build/lib/pele_platform/Examples/checker/incompatible_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,750 copying build/lib/pele_platform/Examples/checker/input_env.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,755 copying build/lib/pele_platform/Examples/checker/input_map_atom_str.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,760 copying build/lib/pele_platform/Examples/checker/input_tab.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,763 copying build/lib/pele_platform/Examples/checker/input_pele_exec.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,767 copying build/lib/pele_platform/Examples/checker/input_rotamer.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,770 copying build/lib/pele_platform/Examples/checker/complex_unk.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,834 copying build/lib/pele_platform/Examples/checker/input_template.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,840 copying build/lib/pele_platform/Examples/checker/input_space.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,845 copying build/lib/pele_platform/Examples/checker/negative_residues.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,851 copying build/lib/pele_platform/Examples/checker/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,898 copying build/lib/pele_platform/Examples/checker/input_underscore.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,903 copying build/lib/pele_platform/Examples/checker/input_map_atom_num.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,908 copying build/lib/pele_platform/Examples/checker/mapping_complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-08-04T15:28:49,977 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-08-04T15:28:49,979 copying build/lib/pele_platform/Examples/site_finder/input_restart.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-08-04T15:28:49,985 copying build/lib/pele_platform/Examples/site_finder/input_global.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-08-04T15:28:49,990 copying build/lib/pele_platform/Examples/site_finder/input_global_xtc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-08-04T15:28:49,996 copying build/lib/pele_platform/Examples/site_finder/global.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-08-04T15:28:50,001 copying build/lib/pele_platform/Examples/site_finder/input_skipref.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-08-04T15:28:50,005 copying build/lib/pele_platform/Examples/site_finder/input_folder.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-08-04T15:28:50,009 copying build/lib/pele_platform/Examples/site_finder/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-08-04T15:28:50,054 copying build/lib/pele_platform/Examples/site_finder/local.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-08-04T15:28:50,061 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering 2021-08-04T15:28:50,063 copying build/lib/pele_platform/Examples/clustering/summary.csv -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering 2021-08-04T15:28:50,071 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-08-04T15:28:50,075 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-08-04T15:28:50,078 copying build/lib/pele_platform/Examples/clustering/0/clustering/object.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-08-04T15:28:50,304 copying build/lib/pele_platform/Examples/clustering/0/clustering/summary.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-08-04T15:28:50,310 copying build/lib/pele_platform/Examples/clustering/0/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-08-04T15:28:50,316 copying build/lib/pele_platform/Examples/clustering/0/trajectory_2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-08-04T15:28:50,354 copying build/lib/pele_platform/Examples/clustering/0/topologyMapping.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-08-04T15:28:50,360 copying build/lib/pele_platform/Examples/clustering/0/trajectory_3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-08-04T15:28:50,430 copying build/lib/pele_platform/Examples/clustering/0/report_4 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-08-04T15:28:50,436 copying build/lib/pele_platform/Examples/clustering/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-08-04T15:28:50,441 copying build/lib/pele_platform/Examples/clustering/0/trajectory_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-08-04T15:28:50,510 copying build/lib/pele_platform/Examples/clustering/0/report_3 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-08-04T15:28:50,515 copying build/lib/pele_platform/Examples/clustering/0/trajectory_4.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-08-04T15:28:50,587 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-08-04T15:28:50,589 copying build/lib/pele_platform/Examples/production/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-08-04T15:28:50,595 copying build/lib/pele_platform/Examples/production/input.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-08-04T15:28:50,602 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-08-04T15:28:50,604 copying build/lib/pele_platform/Examples/covalent_docking/6P0M_prepared.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-08-04T15:28:50,642 copying build/lib/pele_platform/Examples/covalent_docking/input1.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-08-04T15:28:50,648 copying build/lib/pele_platform/Examples/covalent_docking/5XXD_prepared.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-08-04T15:28:50,708 copying build/lib/pele_platform/Examples/covalent_docking/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-08-04T15:28:50,713 copying build/lib/pele_platform/Examples/covalent_docking/input2.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-08-04T15:28:50,718 copying build/lib/pele_platform/Examples/covalent_docking/input3.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-08-04T15:28:50,723 copying build/lib/pele_platform/Examples/covalent_docking/input_defaults_refinement.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-08-04T15:28:50,728 copying build/lib/pele_platform/Examples/covalent_docking/6M06_prepared.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/covalent_docking 2021-08-04T15:28:50,780 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-08-04T15:28:50,782 copying build/lib/pele_platform/Examples/exit_soft/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-08-04T15:28:50,787 copying build/lib/pele_platform/Examples/exit_soft/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-08-04T15:28:50,792 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-08-04T15:28:50,794 copying build/lib/pele_platform/Examples/inputs/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-08-04T15:28:50,799 copying build/lib/pele_platform/Examples/inputs/nord3.sge -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-08-04T15:28:50,805 copying build/lib/pele_platform/Examples/inputs/mn4.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-08-04T15:28:50,812 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-08-04T15:28:50,814 copying build/lib/pele_platform/Examples/bias/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-08-04T15:28:50,819 copying build/lib/pele_platform/Examples/bias/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-08-04T15:28:50,857 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-08-04T15:28:50,859 copying build/lib/pele_platform/Examples/water/water2_pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-08-04T15:28:50,863 copying build/lib/pele_platform/Examples/water/input_lig_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-08-04T15:28:50,867 copying build/lib/pele_platform/Examples/water/input_lig.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-08-04T15:28:50,871 copying build/lib/pele_platform/Examples/water/input_bs_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-08-04T15:28:50,875 copying build/lib/pele_platform/Examples/water/complex_induced.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-08-04T15:28:50,893 copying build/lib/pele_platform/Examples/water/input_nwaters.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-08-04T15:28:50,898 copying build/lib/pele_platform/Examples/water/input_induced.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-08-04T15:28:50,903 copying build/lib/pele_platform/Examples/water/complex_ref_LESSH2O.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-08-04T15:28:50,947 copying build/lib/pele_platform/Examples/water/input_all.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-08-04T15:28:50,951 copying build/lib/pele_platform/Examples/water/water_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-08-04T15:28:50,997 copying build/lib/pele_platform/Examples/water/input_previous_water.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-08-04T15:28:51,002 copying build/lib/pele_platform/Examples/water/water_pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-08-04T15:28:51,008 copying build/lib/pele_platform/Examples/water/input_bs.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-08-04T15:28:51,015 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-08-04T15:28:51,017 copying build/lib/pele_platform/Examples/rescoring/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-08-04T15:28:51,022 copying build/lib/pele_platform/Examples/rescoring/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-08-04T15:28:51,027 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-08-04T15:28:51,029 copying build/lib/pele_platform/Examples/out_in/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-08-04T15:28:51,033 copying build/lib/pele_platform/Examples/out_in/input_metrics.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-08-04T15:28:51,037 copying build/lib/pele_platform/Examples/out_in/input_box_center.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-08-04T15:28:51,041 copying build/lib/pele_platform/Examples/out_in/1_3ZON_complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-08-04T15:28:51,080 copying build/lib/pele_platform/Examples/out_in/input_default.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-08-04T15:28:51,085 copying build/lib/pele_platform/Examples/out_in/input_flag_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-08-04T15:28:51,091 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-08-04T15:28:51,094 copying build/lib/pele_platform/Examples/Adaptive/pele_file_4Adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-08-04T15:28:51,100 copying build/lib/pele_platform/Examples/Adaptive/STR.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-08-04T15:28:51,104 copying build/lib/pele_platform/Examples/Adaptive/test.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-08-04T15:28:51,108 copying build/lib/pele_platform/Examples/Adaptive/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-08-04T15:28:51,112 copying build/lib/pele_platform/Examples/Adaptive/strz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-08-04T15:28:51,122 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/ligand_conformations 2021-08-04T15:28:51,124 copying build/lib/pele_platform/Examples/ligand_conformations/1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/ligand_conformations 2021-08-04T15:28:51,130 copying build/lib/pele_platform/Examples/ligand_conformations/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/ligand_conformations 2021-08-04T15:28:51,135 copying build/lib/pele_platform/Examples/ligand_conformations/3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/ligand_conformations 2021-08-04T15:28:51,140 copying build/lib/pele_platform/Examples/ligand_conformations/2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/ligand_conformations 2021-08-04T15:28:51,146 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-08-04T15:28:51,148 copying build/lib/pele_platform/Examples/pca/1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-08-04T15:28:51,187 copying build/lib/pele_platform/Examples/pca/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-08-04T15:28:51,191 copying build/lib/pele_platform/Examples/pca/3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-08-04T15:28:51,229 copying build/lib/pele_platform/Examples/pca/2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-08-04T15:28:51,268 copying build/lib/pele_platform/Examples/pca/input_str.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-08-04T15:28:51,273 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-08-04T15:28:51,275 copying build/lib/pele_platform/Examples/enzyme_engineering/wrong_cpus.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-08-04T15:28:51,279 copying build/lib/pele_platform/Examples/enzyme_engineering/saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-08-04T15:28:51,283 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-08-04T15:28:51,286 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454E.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-08-04T15:28:51,349 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454A.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-08-04T15:28:51,410 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454D.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-08-04T15:28:51,471 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-08-04T15:28:51,473 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/completed_mutations.log -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-08-04T15:28:51,481 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-08-04T15:28:51,485 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal 2021-08-04T15:28:51,489 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates 2021-08-04T15:28:51,494 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005 2021-08-04T15:28:51,498 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-08-04T15:28:51,501 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms/anlz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-08-04T15:28:51,509 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-08-04T15:28:51,511 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs/ANL.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-08-04T15:28:51,515 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/ANL.mae -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-08-04T15:28:51,521 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-08-04T15:28:51,522 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-08-04T15:28:51,528 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/receptor.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-08-04T15:28:51,590 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454A_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-08-04T15:28:51,651 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454A.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-08-04T15:28:51,711 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454D_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-08-04T15:28:51,772 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454D.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-08-04T15:28:51,833 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-08-04T15:28:51,837 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/controlFile0.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-08-04T15:28:51,846 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/initial_0_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-08-04T15:28:51,906 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/initial_0_0.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-08-04T15:28:51,970 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-08-04T15:28:51,974 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-08-04T15:28:51,977 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/trajectory_3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-08-04T15:28:52,090 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-08-04T15:28:52,097 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/trajectory_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-08-04T15:28:52,291 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/report_3 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-08-04T15:28:52,300 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-08-04T15:28:52,304 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-08-04T15:28:52,310 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/trajectory_2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-08-04T15:28:52,424 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/report_4 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-08-04T15:28:52,431 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/trajectory_4.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-08-04T15:28:52,551 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-08-04T15:28:52,556 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topology_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-08-04T15:28:52,620 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topology_0.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-08-04T15:28:52,685 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topologies.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-08-04T15:28:52,794 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/originalControlFile.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-08-04T15:28:52,803 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-08-04T15:28:52,807 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization/syncFile.lock -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-08-04T15:28:52,816 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-08-04T15:28:52,821 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-08-04T15:28:52,824 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering/object.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-08-04T15:28:52,830 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering/summary.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-08-04T15:28:52,835 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/topologyMapping.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-08-04T15:28:52,840 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-08-04T15:28:52,847 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/restart_saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-08-04T15:28:52,851 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-08-04T15:28:52,858 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-08-04T15:28:52,861 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/ANL.mae -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-08-04T15:28:52,871 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-08-04T15:28:52,875 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-08-04T15:28:52,882 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/T454E.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-08-04T15:28:52,941 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/receptor.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-08-04T15:28:53,004 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/T454E_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-08-04T15:28:53,064 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-08-04T15:28:53,068 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/restart_saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-08-04T15:28:53,072 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-08-04T15:28:53,076 copying build/lib/pele_platform/Examples/enzyme_engineering/restart_saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-08-04T15:28:53,081 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-08-04T15:28:53,083 copying build/lib/pele_platform/Examples/RNA/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-08-04T15:28:53,087 copying build/lib/pele_platform/Examples/RNA/input_induced.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-08-04T15:28:53,092 copying build/lib/pele_platform/Examples/RNA/5C45_prep_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-08-04T15:28:53,133 copying build/lib/pele_platform/Examples/RNA/2l94.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-08-04T15:28:53,139 copying build/lib/pele_platform/Examples/RNA/5C45_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-08-04T15:28:53,183 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-08-04T15:28:53,185 copying build/lib/pele_platform/Examples/exit/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-08-04T15:28:53,191 copying build/lib/pele_platform/Examples/exit/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-08-04T15:28:53,198 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart 2021-08-04T15:28:53,200 copying build/lib/pele_platform/Examples/restart/restart.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart 2021-08-04T15:28:53,207 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-08-04T15:28:53,209 copying build/lib/pele_platform/Examples/Msm/PR_AS4.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-08-04T15:28:53,245 copying build/lib/pele_platform/Examples/Msm/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-08-04T15:28:53,251 copying build/lib/pele_platform/Examples/Msm/PR_1A28_protein.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-08-04T15:28:53,288 copying build/lib/pele_platform/Examples/Msm/PR_1A28_xray_-_minimized_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-08-04T15:28:53,326 copying build/lib/pele_platform/Examples/Msm/AS4_INIT.mae -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-08-04T15:28:53,333 copying build/lib/pele_platform/Examples/Msm/PR_1A28_xray_-_minimized.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-08-04T15:28:53,373 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-08-04T15:28:53,376 copying build/lib/pele_platform/Examples/induced_fit/input_fast_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-08-04T15:28:53,382 copying build/lib/pele_platform/Examples/induced_fit/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-08-04T15:28:53,387 copying build/lib/pele_platform/Examples/induced_fit/input_exhaustive.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-08-04T15:28:53,392 copying build/lib/pele_platform/Examples/induced_fit/input_exhaustive_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-08-04T15:28:53,395 copying build/lib/pele_platform/Examples/induced_fit/input_fast.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-08-04T15:28:53,400 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-08-04T15:28:53,402 copying build/lib/pele_platform/Examples/gpcr/complex_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-08-04T15:28:53,444 copying build/lib/pele_platform/Examples/gpcr/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-08-04T15:28:53,449 copying build/lib/pele_platform/Examples/gpcr/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-08-04T15:28:53,453 copying build/lib/pele_platform/Examples/gpcr/input_atom_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-08-04T15:28:53,457 copying build/lib/pele_platform/Examples/gpcr/input_defaults2.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-08-04T15:28:53,461 copying build/lib/pele_platform/Examples/gpcr/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-08-04T15:28:53,504 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc 2021-08-04T15:28:53,506 copying build/lib/pele_platform/Examples/clustering_xtc/water_clustering.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc 2021-08-04T15:28:53,512 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:53,514 copying build/lib/pele_platform/Examples/clustering_xtc/0/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:53,518 copying build/lib/pele_platform/Examples/clustering_xtc/0/trajectory_4.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:53,526 copying build/lib/pele_platform/Examples/clustering_xtc/0/topology.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:53,561 copying build/lib/pele_platform/Examples/clustering_xtc/0/trajectory_3.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:53,569 copying build/lib/pele_platform/Examples/clustering_xtc/0/report_4 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:53,573 copying build/lib/pele_platform/Examples/clustering_xtc/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:53,579 copying build/lib/pele_platform/Examples/clustering_xtc/0/trajectory_1.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:53,588 copying build/lib/pele_platform/Examples/clustering_xtc/0/report_3 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:53,593 copying build/lib/pele_platform/Examples/clustering_xtc/0/trajectory_2.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering_xtc/0 2021-08-04T15:28:53,600 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-08-04T15:28:53,601 copying build/lib/pele_platform/Examples/global/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-08-04T15:28:53,606 copying build/lib/pele_platform/Examples/global/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-08-04T15:28:53,609 copying build/lib/pele_platform/Examples/global/input_inputs_asterisc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-08-04T15:28:53,614 copying build/lib/pele_platform/Examples/global/input_inputs.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-08-04T15:28:53,620 copying build/lib/pele_platform/Examples/test.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples 2021-08-04T15:28:53,627 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/box 2021-08-04T15:28:53,630 copying build/lib/pele_platform/Examples/box/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/box 2021-08-04T15:28:53,635 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/minimum_steps 2021-08-04T15:28:53,637 copying build/lib/pele_platform/Examples/minimum_steps/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/minimum_steps 2021-08-04T15:28:53,641 copying build/lib/pele_platform/Examples/minimum_steps/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/minimum_steps 2021-08-04T15:28:53,706 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,708 copying build/lib/pele_platform/Examples/constraints/no_connects.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,713 copying build/lib/pele_platform/Examples/constraints/input_tetrahedral.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,718 copying build/lib/pele_platform/Examples/constraints/fail_input_permissive_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,724 copying build/lib/pele_platform/Examples/constraints/input_constrain_smarts.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,729 copying build/lib/pele_platform/Examples/constraints/4w4o_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,762 copying build/lib/pele_platform/Examples/constraints/input_ca_ppp.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,766 copying build/lib/pele_platform/Examples/constraints/input_k.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,770 copying build/lib/pele_platform/Examples/constraints/input_all_metal_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,773 copying build/lib/pele_platform/Examples/constraints/4l3a_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,828 copying build/lib/pele_platform/Examples/constraints/input_no_metal_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,834 copying build/lib/pele_platform/Examples/constraints/ca_constraints.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,898 copying build/lib/pele_platform/Examples/constraints/input_ca_noppp.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,904 copying build/lib/pele_platform/Examples/constraints/input_metals.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,910 copying build/lib/pele_platform/Examples/constraints/input_smiles_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,915 copying build/lib/pele_platform/Examples/constraints/4w5i_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,947 copying build/lib/pele_platform/Examples/constraints/input_square_planar.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,951 copying build/lib/pele_platform/Examples/constraints/input_permissive_exception.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,955 copying build/lib/pele_platform/Examples/constraints/1zop.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,982 copying build/lib/pele_platform/Examples/constraints/input_ignore.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:53,986 copying build/lib/pele_platform/Examples/constraints/4qnr_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:54,036 copying build/lib/pele_platform/Examples/constraints/input_square_planar_polarisation.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:54,040 copying build/lib/pele_platform/Examples/constraints/input_external_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:54,044 copying build/lib/pele_platform/Examples/constraints/complex_smiles_error.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:54,084 copying build/lib/pele_platform/Examples/constraints/pass_input_permissive_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:54,090 copying build/lib/pele_platform/Examples/constraints/4zu9_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:54,201 copying build/lib/pele_platform/Examples/constraints/input_constrain_smiles.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-08-04T15:28:54,212 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-08-04T15:28:54,214 copying build/lib/pele_platform/Examples/interaction_restrictions/input_error_2.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-08-04T15:28:54,220 copying build/lib/pele_platform/Examples/interaction_restrictions/input_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-08-04T15:28:54,226 copying build/lib/pele_platform/Examples/interaction_restrictions/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-08-04T15:28:54,233 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-08-04T15:28:54,235 copying build/lib/pele_platform/Examples/interaction_restrictions/out/expected_metrics.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-08-04T15:28:54,241 copying build/lib/pele_platform/Examples/interaction_restrictions/out/expected_conditions.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-08-04T15:28:54,247 copying build/lib/pele_platform/Examples/interaction_restrictions/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-08-04T15:28:54,314 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-08-04T15:28:54,316 copying build/lib/pele_platform/Examples/PPI/1tnf_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-08-04T15:28:54,321 copying build/lib/pele_platform/Examples/PPI/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-08-04T15:28:54,325 copying build/lib/pele_platform/Examples/PPI/1f47_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-08-04T15:28:54,331 copying build/lib/pele_platform/Examples/PPI/input_skipref.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-08-04T15:28:54,337 copying build/lib/pele_platform/Examples/PPI/1f47_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-08-04T15:28:54,359 copying build/lib/pele_platform/Examples/PPI/input_folder.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-08-04T15:28:54,363 copying build/lib/pele_platform/Examples/PPI/1tnf_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-08-04T15:28:54,424 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/singularity 2021-08-04T15:28:54,426 copying build/lib/pele_platform/Examples/singularity/input_adaptive.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/singularity 2021-08-04T15:28:54,432 copying build/lib/pele_platform/Examples/singularity/input_frag.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/singularity 2021-08-04T15:28:54,439 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-08-04T15:28:54,441 copying build/lib/pele_platform/Examples/preparation/6qmk_correct.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-08-04T15:28:54,488 copying build/lib/pele_platform/Examples/preparation/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-08-04T15:28:54,492 copying build/lib/pele_platform/Examples/preparation/complex_2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-08-04T15:28:54,549 copying build/lib/pele_platform/Examples/preparation/input_nonstandard.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-08-04T15:28:54,553 copying build/lib/pele_platform/Examples/preparation/6qmk_repeated.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-08-04T15:28:54,606 copying build/lib/pele_platform/Examples/preparation/parametrization_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-08-04T15:28:54,612 copying build/lib/pele_platform/Examples/preparation/input_space.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-08-04T15:28:54,617 copying build/lib/pele_platform/Examples/preparation/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-08-04T15:28:54,657 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/flags 2021-08-04T15:28:54,659 copying build/lib/pele_platform/Examples/flags/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/flags 2021-08-04T15:28:54,667 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials 2021-08-04T15:28:54,671 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-08-04T15:28:54,673 copying build/lib/pele_platform/Examples/tutorials/induced_fit/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-08-04T15:28:54,680 copying build/lib/pele_platform/Examples/tutorials/induced_fit/docking.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-08-04T15:28:54,748 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-08-04T15:28:54,751 copying build/lib/pele_platform/Examples/tutorials/gpcr/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-08-04T15:28:54,757 copying build/lib/pele_platform/Examples/tutorials/gpcr/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-08-04T15:28:54,801 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-08-04T15:28:54,804 copying build/lib/pele_platform/Examples/tutorials/ppi/4yy6_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-08-04T15:28:54,812 copying build/lib/pele_platform/Examples/tutorials/ppi/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-08-04T15:28:54,817 copying build/lib/pele_platform/Examples/tutorials/ppi/4yy6_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-08-04T15:28:54,844 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:54,845 copying build/lib/pele_platform/Examples/frag/input_point_analysis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:54,850 copying build/lib/pele_platform/Examples/frag/1dyi_waters.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:54,878 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-08-04T15:28:54,880 copying build/lib/pele_platform/Examples/frag/checker/4RFM_series.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-08-04T15:28:54,887 copying build/lib/pele_platform/Examples/frag/checker/receptor.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-08-04T15:28:54,919 copying build/lib/pele_platform/Examples/frag/checker/4RFM_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-08-04T15:28:54,924 copying build/lib/pele_platform/Examples/frag/ligands.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:54,930 copying build/lib/pele_platform/Examples/frag/input_sim.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:54,935 copying build/lib/pele_platform/Examples/frag/1w7h_preparation_structure_2w_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:54,986 copying build/lib/pele_platform/Examples/frag/input_fragment_atom.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:54,992 copying build/lib/pele_platform/Examples/frag/input_ai.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:54,997 copying build/lib/pele_platform/Examples/frag/input_frag_waters.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:55,003 copying build/lib/pele_platform/Examples/frag/input_core.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:55,008 copying build/lib/pele_platform/Examples/frag/1dyi_no_waters.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:55,033 copying build/lib/pele_platform/Examples/frag/flags.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:55,040 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-08-04T15:28:55,043 copying build/lib/pele_platform/Examples/frag/pdb_test_lib/mol1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-08-04T15:28:55,049 copying build/lib/pele_platform/Examples/frag/pdb_test_lib/mol2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-08-04T15:28:55,057 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:55,059 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_core_sc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:55,111 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_series.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:55,119 copying build/lib/pele_platform/Examples/frag/sdf_joiner/glide-dockSARS_core.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:55,198 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag2.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:55,203 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:55,212 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag3.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:55,217 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag4.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:55,222 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag3.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:55,233 copying build/lib/pele_platform/Examples/frag/sdf_joiner/13_serie.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:55,245 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag31.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:55,254 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:55,258 copying build/lib/pele_platform/Examples/frag/sdf_joiner/core2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:55,296 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag5.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:55,301 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:55,352 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag2.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:55,363 copying build/lib/pele_platform/Examples/frag/sdf_joiner/core3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-08-04T15:28:55,381 copying build/lib/pele_platform/Examples/frag/1w7h_preparation_structure_2w.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:55,433 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_test_lib 2021-08-04T15:28:55,436 copying build/lib/pele_platform/Examples/frag/sdf_test_lib/test_library.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_test_lib 2021-08-04T15:28:55,442 copying build/lib/pele_platform/Examples/frag/input_core_sdf.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:55,448 copying build/lib/pele_platform/Examples/frag/ligands_water.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:55,455 copying build/lib/pele_platform/Examples/frag/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:55,462 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data 2021-08-04T15:28:55,465 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1 2021-08-04T15:28:55,468 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-08-04T15:28:55,470 copying build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result/epochsampling_result_trajectory_1.1_BindingEnergy-23.4636.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-08-04T15:28:55,519 copying build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result/epochsampling_result_trajectory_2.1_BindingEnergy-25.1634.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-08-04T15:28:55,569 copying build/lib/pele_platform/Examples/frag/input_symmetry.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:55,574 copying build/lib/pele_platform/Examples/frag/amino.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:55,580 copying build/lib/pele_platform/Examples/frag/core.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:55,585 copying build/lib/pele_platform/Examples/frag/input_lib_pdb.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:55,589 copying build/lib/pele_platform/Examples/frag/input_sim_xtc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:55,593 copying build/lib/pele_platform/Examples/frag/sequential.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:55,597 copying build/lib/pele_platform/Examples/frag/input_lib_sdf.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-08-04T15:28:55,602 creating build/bdist.linux-armv7l/wheel/pele_platform/features 2021-08-04T15:28:55,604 copying build/lib/pele_platform/features/adaptive.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-08-04T15:28:55,611 copying build/lib/pele_platform/features/frag.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-08-04T15:28:55,617 copying build/lib/pele_platform/features/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-08-04T15:28:55,623 creating build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-08-04T15:28:55,625 copying build/lib/pele_platform/Templates/pele_template.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-08-04T15:28:55,630 copying build/lib/pele_platform/Templates/solventParamsHCTOBC.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-08-04T15:28:55,640 copying build/lib/pele_platform/Templates/template_adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-08-04T15:28:55,646 creating build/bdist.linux-armv7l/wheel/pele_platform/covalent_docking 2021-08-04T15:28:55,648 copying build/lib/pele_platform/covalent_docking/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/covalent_docking 2021-08-04T15:28:55,655 copying build/lib/pele_platform/covalent_docking/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/covalent_docking 2021-08-04T15:28:55,662 creating build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-08-04T15:28:55,664 copying build/lib/pele_platform/Checker/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-08-04T15:28:55,670 copying build/lib/pele_platform/Checker/environment_variables.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-08-04T15:28:55,674 copying build/lib/pele_platform/Checker/executable.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-08-04T15:28:55,678 copying build/lib/pele_platform/Checker/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-08-04T15:28:55,681 copying build/lib/pele_platform/Checker/valid_flags.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-08-04T15:28:55,687 copying build/lib/pele_platform/Checker/pdb_checker.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-08-04T15:28:55,692 copying build/lib/pele_platform/Checker/python_version.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-08-04T15:28:55,699 creating build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-08-04T15:28:55,702 copying build/lib/pele_platform/Frag/checker.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-08-04T15:28:55,708 copying build/lib/pele_platform/Frag/fragments.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-08-04T15:28:55,712 copying build/lib/pele_platform/Frag/libraries.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-08-04T15:28:55,717 copying build/lib/pele_platform/Frag/atoms.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-08-04T15:28:55,721 copying build/lib/pele_platform/Frag/generative_model.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-08-04T15:28:55,726 creating build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-08-04T15:28:55,728 copying build/lib/pele_platform/Frag/parameters/files.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-08-04T15:28:55,734 copying build/lib/pele_platform/Frag/parameters/metrics.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-08-04T15:28:55,740 copying build/lib/pele_platform/Frag/parameters/water.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-08-04T15:28:55,746 copying build/lib/pele_platform/Frag/parameters/optional.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-08-04T15:28:55,751 copying build/lib/pele_platform/Frag/parameters/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-08-04T15:28:55,754 copying build/lib/pele_platform/Frag/parameters/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-08-04T15:28:55,759 copying build/lib/pele_platform/Frag/helpers.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-08-04T15:28:55,764 copying build/lib/pele_platform/Frag/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-08-04T15:28:55,768 copying build/lib/pele_platform/Frag/analysis.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-08-04T15:28:55,773 copying build/lib/pele_platform/Frag/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-08-04T15:28:55,782 creating build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-08-04T15:28:55,784 copying build/lib/pele_platform/out_in/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-08-04T15:28:55,790 copying build/lib/pele_platform/out_in/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-08-04T15:28:55,795 creating build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-08-04T15:28:55,797 copying build/lib/pele_platform/Adaptive/pca.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-08-04T15:28:55,801 copying build/lib/pele_platform/Adaptive/interaction_restrictions.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-08-04T15:28:55,807 copying build/lib/pele_platform/Adaptive/plop_ligand_parametrization.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-08-04T15:28:55,811 copying build/lib/pele_platform/Adaptive/metrics.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-08-04T15:28:55,816 copying build/lib/pele_platform/Adaptive/box.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-08-04T15:28:55,822 copying build/lib/pele_platform/Adaptive/plop_solvent.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-08-04T15:28:55,827 copying build/lib/pele_platform/Adaptive/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-08-04T15:28:55,833 copying build/lib/pele_platform/Adaptive/parametrizer.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-08-04T15:28:55,841 copying build/lib/pele_platform/Adaptive/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-08-04T15:28:55,848 creating build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-08-04T15:28:55,850 copying build/lib/pele_platform/constants/pele_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-08-04T15:28:55,857 copying build/lib/pele_platform/constants/constants.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-08-04T15:28:55,865 copying build/lib/pele_platform/constants/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-08-04T15:28:55,871 creating build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-08-04T15:28:55,873 copying build/lib/pele_platform/enzyme_engineering/saturated_mutagenesis.py -> build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-08-04T15:28:55,879 copying build/lib/pele_platform/enzyme_engineering/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-08-04T15:28:55,884 creating build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-08-04T15:28:55,886 copying build/lib/pele_platform/RNA/prep.py -> build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-08-04T15:28:55,891 copying build/lib/pele_platform/RNA/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-08-04T15:28:55,895 copying build/lib/pele_platform/main.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-08-04T15:28:55,901 copying build/lib/pele_platform/_version.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-08-04T15:28:55,908 creating build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-08-04T15:28:55,911 copying build/lib/pele_platform/gpcr/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-08-04T15:28:55,916 copying build/lib/pele_platform/gpcr/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-08-04T15:28:55,921 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities 2021-08-04T15:28:55,924 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:55,926 copying build/lib/pele_platform/Utilities/Helpers/map_atoms.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:55,932 copying build/lib/pele_platform/Utilities/Helpers/template_builder.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:55,937 copying build/lib/pele_platform/Utilities/Helpers/yaml_parser.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:55,945 copying build/lib/pele_platform/Utilities/Helpers/bestStructs.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:55,952 copying build/lib/pele_platform/Utilities/Helpers/protein_wizard.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:55,958 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-08-04T15:28:55,960 copying build/lib/pele_platform/Utilities/Helpers/Metals/metal_polarisation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-08-04T15:28:55,964 copying build/lib/pele_platform/Utilities/Helpers/Metals/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-08-04T15:28:55,968 copying build/lib/pele_platform/Utilities/Helpers/Metals/metal_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-08-04T15:28:55,973 copying build/lib/pele_platform/Utilities/Helpers/randomize.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:55,980 copying build/lib/pele_platform/Utilities/Helpers/plop_launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:55,986 copying build/lib/pele_platform/Utilities/Helpers/launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:55,991 copying build/lib/pele_platform/Utilities/Helpers/conda_deployment.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:55,996 copying build/lib/pele_platform/Utilities/Helpers/system_prep.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:56,002 copying build/lib/pele_platform/Utilities/Helpers/center_of_mass.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:56,006 copying build/lib/pele_platform/Utilities/Helpers/interaction_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:56,010 copying build/lib/pele_platform/Utilities/Helpers/helpers.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:56,017 copying build/lib/pele_platform/Utilities/Helpers/water.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:56,025 copying build/lib/pele_platform/Utilities/Helpers/solventOBCParamsGenerator.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:56,031 copying build/lib/pele_platform/Utilities/Helpers/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:56,037 copying build/lib/pele_platform/Utilities/Helpers/ligand_conformations.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:56,042 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-08-04T15:28:56,044 copying build/lib/pele_platform/Utilities/Helpers/constraints/smiles_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-08-04T15:28:56,050 copying build/lib/pele_platform/Utilities/Helpers/constraints/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-08-04T15:28:56,053 copying build/lib/pele_platform/Utilities/Helpers/constraints/alpha_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-08-04T15:28:56,059 copying build/lib/pele_platform/Utilities/Helpers/calculatePCA4PELE.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:56,067 copying build/lib/pele_platform/Utilities/Helpers/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:56,074 copying build/lib/pele_platform/Utilities/Helpers/missing_residues.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-08-04T15:28:56,080 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-08-04T15:28:56,083 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-08-04T15:28:56,086 copying build/lib/pele_platform/Utilities/Parameters/SimulationFolders/simulation_folders.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-08-04T15:28:56,090 copying build/lib/pele_platform/Utilities/Parameters/SimulationFolders/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-08-04T15:28:56,094 copying build/lib/pele_platform/Utilities/Parameters/parameters.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-08-04T15:28:56,102 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-08-04T15:28:56,106 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-08-04T15:28:56,109 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder/site_finder.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-08-04T15:28:56,115 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-08-04T15:28:56,119 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/simulation_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-08-04T15:28:56,127 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-08-04T15:28:56,129 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams/inout_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-08-04T15:28:56,134 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-08-04T15:28:56,138 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-08-04T15:28:56,141 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA/pca.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-08-04T15:28:56,147 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-08-04T15:28:56,153 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-08-04T15:28:56,156 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams/msm_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-08-04T15:28:56,161 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-08-04T15:28:56,166 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-08-04T15:28:56,168 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams/bias_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-08-04T15:28:56,172 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-08-04T15:28:56,175 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-08-04T15:28:56,180 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-08-04T15:28:56,183 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-08-04T15:28:56,188 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams/glide_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-08-04T15:28:56,195 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-08-04T15:28:56,198 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI/ppi.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-08-04T15:28:56,203 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-08-04T15:28:56,206 copying build/lib/pele_platform/Utilities/Parameters/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-08-04T15:28:56,210 copying build/lib/pele_platform/Utilities/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities 2021-08-04T15:28:56,214 copying build/lib/pele_platform/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-08-04T15:28:56,219 creating build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-08-04T15:28:56,221 copying build/lib/pele_platform/PPI/cluster.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-08-04T15:28:56,228 copying build/lib/pele_platform/PPI/simulation_launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-08-04T15:28:56,233 copying build/lib/pele_platform/PPI/preparation.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-08-04T15:28:56,239 copying build/lib/pele_platform/PPI/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-08-04T15:28:56,244 copying build/lib/pele_platform/PPI/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-08-04T15:28:56,249 creating build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-08-04T15:28:56,250 copying build/lib/pele_platform/Errors/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-08-04T15:28:56,254 copying build/lib/pele_platform/Errors/custom_errors.py -> build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-08-04T15:28:56,258 running install_egg_info 2021-08-04T15:28:56,284 Copying pele_platform.egg-info to build/bdist.linux-armv7l/wheel/pele_platform-1.6.0rc2-py3.5.egg-info 2021-08-04T15:28:56,314 running install_scripts 2021-08-04T15:28:56,551 creating build/bdist.linux-armv7l/wheel/pele_platform-1.6.0rc2.dist-info/WHEEL 2021-08-04T15:29:13,139 Building wheel for pele-platform (setup.py): finished with status 'done' 2021-08-04T15:29:13,332 Created wheel for pele-platform: filename=pele_platform-1.6.0rc2-py3-none-any.whl size=11411772 sha256=089f457c494767a9d5153745dd6e12ae4c9093451d5ef15fea11ba0e5b603bad 2021-08-04T15:29:13,332 Stored in directory: /tmp/pip-ephem-wheel-cache-ehv9ak69/wheels/04/00/db/9917535cbbd332d69d35e37b28fb8b71cabeef8ebbb80ff0bd 2021-08-04T15:29:13,398 Successfully built pele-platform 2021-08-04T15:29:15,373 Removed build tracker: '/tmp/pip-req-tracker-b1stmuxs'