2021-04-25T19:35:35,178 DEPRECATION: Python 3.5 reached the end of its life on September 13th, 2020. Please upgrade your Python as Python 3.5 is no longer maintained. pip 21.0 will drop support for Python 3.5 in January 2021. pip 21.0 will remove support for this functionality. 2021-04-25T19:35:35,770 Created temporary directory: /tmp/pip-ephem-wheel-cache-rs817qm_ 2021-04-25T19:35:35,774 Created temporary directory: /tmp/pip-req-tracker-pdq1dev4 2021-04-25T19:35:35,774 Initialized build tracking at /tmp/pip-req-tracker-pdq1dev4 2021-04-25T19:35:35,775 Created build tracker: /tmp/pip-req-tracker-pdq1dev4 2021-04-25T19:35:35,775 Entered build tracker: /tmp/pip-req-tracker-pdq1dev4 2021-04-25T19:35:35,776 Created temporary directory: /tmp/pip-wheel-non7hecn 2021-04-25T19:35:35,838 1 location(s) to search for versions of pele-platform: 2021-04-25T19:35:35,838 * https://pypi.org/simple/pele-platform/ 2021-04-25T19:35:35,838 Fetching project page and analyzing links: https://pypi.org/simple/pele-platform/ 2021-04-25T19:35:35,840 Getting page https://pypi.org/simple/pele-platform/ 2021-04-25T19:35:35,844 Found index url https://pypi.org/simple 2021-04-25T19:35:36,157 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 2021-04-25T19:35:36,158 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 2021-04-25T19:35:36,159 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 2021-04-25T19:35:36,159 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 2021-04-25T19:35:36,160 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 2021-04-25T19:35:36,161 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 2021-04-25T19:35:36,162 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 2021-04-25T19:35:36,163 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 2021-04-25T19:35:36,164 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 2021-04-25T19:35:36,164 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 2021-04-25T19:35:36,165 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 2021-04-25T19:35:36,166 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 2021-04-25T19:35:36,167 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 2021-04-25T19:35:36,167 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 2021-04-25T19:35:36,168 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 2021-04-25T19:35:36,169 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 2021-04-25T19:35:36,170 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 2021-04-25T19:35:36,170 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 2021-04-25T19:35:36,171 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 2021-04-25T19:35:36,172 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 2021-04-25T19:35:36,173 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 2021-04-25T19:35:36,174 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 2021-04-25T19:35:36,174 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 2021-04-25T19:35:36,175 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 2021-04-25T19:35:36,208 Given no hashes to check 1 links for project 'pele-platform': discarding no candidates 2021-04-25T19:35:36,236 Collecting pele-platform==1.6.0b4 2021-04-25T19:35:36,239 Created temporary directory: /tmp/pip-unpack-5p2z3bdk 2021-04-25T19:35:37,559 Downloading pele_platform-1.6.0b4.tar.gz (10.0 MB) 2021-04-25T19:35:44,948 Added pele-platform==1.6.0b4 from https://files.pythonhosted.org/packages/f3/46/ecebcaed96148f710c2aa716f1a4862033073dfe8c1da1c7283d32b766b4/pele_platform-1.6.0b4.tar.gz#sha256=1e6cdaab94470fa0de99010c2e51ed94e1634b14c9a53206b6f33e838616b361 to build tracker '/tmp/pip-req-tracker-pdq1dev4' 2021-04-25T19:35:44,950 Running setup.py (path:/tmp/pip-wheel-non7hecn/pele-platform_44eb200bcb664fd5a9476fb4e6c3d11b/setup.py) egg_info for package pele-platform 2021-04-25T19:35:44,951 Created temporary directory: /tmp/pip-pip-egg-info-_xt0ed7k 2021-04-25T19:35:44,952 Running command python setup.py egg_info 2021-04-25T19:35:47,310 running egg_info 2021-04-25T19:35:47,315 creating /tmp/pip-pip-egg-info-_xt0ed7k/pele_platform.egg-info 2021-04-25T19:35:47,316 writing dependency_links to /tmp/pip-pip-egg-info-_xt0ed7k/pele_platform.egg-info/dependency_links.txt 2021-04-25T19:35:47,319 writing top-level names to /tmp/pip-pip-egg-info-_xt0ed7k/pele_platform.egg-info/top_level.txt 2021-04-25T19:35:47,322 writing /tmp/pip-pip-egg-info-_xt0ed7k/pele_platform.egg-info/PKG-INFO 2021-04-25T19:35:47,325 writing requirements to /tmp/pip-pip-egg-info-_xt0ed7k/pele_platform.egg-info/requires.txt 2021-04-25T19:35:47,329 writing manifest file '/tmp/pip-pip-egg-info-_xt0ed7k/pele_platform.egg-info/SOURCES.txt' 2021-04-25T19:35:47,372 reading manifest file '/tmp/pip-pip-egg-info-_xt0ed7k/pele_platform.egg-info/SOURCES.txt' 2021-04-25T19:35:47,375 reading manifest template 'MANIFEST.in' 2021-04-25T19:35:47,377 warning: no files found matching 'pele_platform/Utilities/PlopRotTemp/param/*' 2021-04-25T19:35:47,378 warning: no files found matching 'pele_platform/AdaptivePELE/atomset/*' 2021-04-25T19:35:47,379 warning: no files found matching 'pele_platform/AdaptivePELE/freeEnergies/*' 2021-04-25T19:35:47,379 warning: no files found matching '*' under directory 'pele_platform/Utilities/PPP/Data/' 2021-04-25T19:35:47,664 warning: no files found matching '*' under directory 'tests/data' 2021-04-25T19:35:47,700 writing manifest file '/tmp/pip-pip-egg-info-_xt0ed7k/pele_platform.egg-info/SOURCES.txt' 2021-04-25T19:35:47,826 Source in /tmp/pip-wheel-non7hecn/pele-platform_44eb200bcb664fd5a9476fb4e6c3d11b has version 1.6.0b4, which satisfies requirement pele-platform==1.6.0b4 from https://files.pythonhosted.org/packages/f3/46/ecebcaed96148f710c2aa716f1a4862033073dfe8c1da1c7283d32b766b4/pele_platform-1.6.0b4.tar.gz#sha256=1e6cdaab94470fa0de99010c2e51ed94e1634b14c9a53206b6f33e838616b361 2021-04-25T19:35:47,827 Removed pele-platform==1.6.0b4 from https://files.pythonhosted.org/packages/f3/46/ecebcaed96148f710c2aa716f1a4862033073dfe8c1da1c7283d32b766b4/pele_platform-1.6.0b4.tar.gz#sha256=1e6cdaab94470fa0de99010c2e51ed94e1634b14c9a53206b6f33e838616b361 from build tracker '/tmp/pip-req-tracker-pdq1dev4' 2021-04-25T19:35:47,839 Created temporary directory: /tmp/pip-unpack-zdpp6m8t 2021-04-25T19:35:47,840 Building wheels for collected packages: pele-platform 2021-04-25T19:35:47,850 Created temporary directory: /tmp/pip-wheel-ibfmmhbu 2021-04-25T19:35:47,852 Building wheel for pele-platform (setup.py): started 2021-04-25T19:35:47,853 Destination directory: /tmp/pip-wheel-ibfmmhbu 2021-04-25T19:35:47,854 Running command /usr/bin/python3 -u -c 'import sys, setuptools, tokenize; sys.argv[0] = '"'"'/tmp/pip-wheel-non7hecn/pele-platform_44eb200bcb664fd5a9476fb4e6c3d11b/setup.py'"'"'; __file__='"'"'/tmp/pip-wheel-non7hecn/pele-platform_44eb200bcb664fd5a9476fb4e6c3d11b/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-ibfmmhbu 2021-04-25T19:35:50,188 running bdist_wheel 2021-04-25T19:35:50,198 running build 2021-04-25T19:35:50,199 running build_py 2021-04-25T19:35:50,211 creating build 2021-04-25T19:35:50,213 creating build/lib 2021-04-25T19:35:50,214 creating build/lib/pele_platform 2021-04-25T19:35:50,217 copying pele_platform/__init__.py -> build/lib/pele_platform 2021-04-25T19:35:50,221 copying pele_platform/main.py -> build/lib/pele_platform 2021-04-25T19:35:50,225 copying pele_platform/_version.py -> build/lib/pele_platform 2021-04-25T19:35:50,229 creating build/lib/pele_platform/out_in 2021-04-25T19:35:50,232 copying pele_platform/out_in/__init__.py -> build/lib/pele_platform/out_in 2021-04-25T19:35:50,235 copying pele_platform/out_in/main.py -> build/lib/pele_platform/out_in 2021-04-25T19:35:50,240 creating build/lib/pele_platform/enzyme_engineering 2021-04-25T19:35:50,242 copying pele_platform/enzyme_engineering/__init__.py -> build/lib/pele_platform/enzyme_engineering 2021-04-25T19:35:50,246 copying pele_platform/enzyme_engineering/saturated_mutagenesis.py -> build/lib/pele_platform/enzyme_engineering 2021-04-25T19:35:50,252 creating build/lib/pele_platform/Frag 2021-04-25T19:35:50,254 copying pele_platform/Frag/__init__.py -> build/lib/pele_platform/Frag 2021-04-25T19:35:50,258 copying pele_platform/Frag/checker.py -> build/lib/pele_platform/Frag 2021-04-25T19:35:50,262 copying pele_platform/Frag/analysis.py -> build/lib/pele_platform/Frag 2021-04-25T19:35:50,266 copying pele_platform/Frag/generative_model.py -> build/lib/pele_platform/Frag 2021-04-25T19:35:50,270 copying pele_platform/Frag/fragments.py -> build/lib/pele_platform/Frag 2021-04-25T19:35:50,274 copying pele_platform/Frag/helpers.py -> build/lib/pele_platform/Frag 2021-04-25T19:35:50,278 copying pele_platform/Frag/simulation.py -> build/lib/pele_platform/Frag 2021-04-25T19:35:50,283 copying pele_platform/Frag/libraries.py -> build/lib/pele_platform/Frag 2021-04-25T19:35:50,287 copying pele_platform/Frag/atoms.py -> build/lib/pele_platform/Frag 2021-04-25T19:35:50,293 creating build/lib/pele_platform/analysis 2021-04-25T19:35:50,295 copying pele_platform/analysis/data.py -> build/lib/pele_platform/analysis 2021-04-25T19:35:50,301 copying pele_platform/analysis/__init__.py -> build/lib/pele_platform/analysis 2021-04-25T19:35:50,304 copying pele_platform/analysis/plot.py -> build/lib/pele_platform/analysis 2021-04-25T19:35:50,308 copying pele_platform/analysis/pdf_report.py -> build/lib/pele_platform/analysis 2021-04-25T19:35:50,311 copying pele_platform/analysis/analysis.py -> build/lib/pele_platform/analysis 2021-04-25T19:35:50,317 copying pele_platform/analysis/to_mae.py -> build/lib/pele_platform/analysis 2021-04-25T19:35:50,320 copying pele_platform/analysis/interactive_plot.py -> build/lib/pele_platform/analysis 2021-04-25T19:35:50,324 copying pele_platform/analysis/clustering.py -> build/lib/pele_platform/analysis 2021-04-25T19:35:50,329 creating build/lib/pele_platform/Checker 2021-04-25T19:35:50,331 copying pele_platform/Checker/valid_flags.py -> build/lib/pele_platform/Checker 2021-04-25T19:35:50,334 copying pele_platform/Checker/__init__.py -> build/lib/pele_platform/Checker 2021-04-25T19:35:50,337 copying pele_platform/Checker/environment_variables.py -> build/lib/pele_platform/Checker 2021-04-25T19:35:50,340 copying pele_platform/Checker/executable.py -> build/lib/pele_platform/Checker 2021-04-25T19:35:50,343 copying pele_platform/Checker/python_version.py -> build/lib/pele_platform/Checker 2021-04-25T19:35:50,346 copying pele_platform/Checker/main.py -> build/lib/pele_platform/Checker 2021-04-25T19:35:50,350 creating build/lib/pele_platform/site_finder 2021-04-25T19:35:50,351 copying pele_platform/site_finder/__init__.py -> build/lib/pele_platform/site_finder 2021-04-25T19:35:50,354 copying pele_platform/site_finder/main.py -> build/lib/pele_platform/site_finder 2021-04-25T19:35:50,359 creating build/lib/pele_platform/PPI 2021-04-25T19:35:50,361 copying pele_platform/PPI/preparation.py -> build/lib/pele_platform/PPI 2021-04-25T19:35:50,364 copying pele_platform/PPI/__init__.py -> build/lib/pele_platform/PPI 2021-04-25T19:35:50,367 copying pele_platform/PPI/cluster.py -> build/lib/pele_platform/PPI 2021-04-25T19:35:50,370 copying pele_platform/PPI/main.py -> build/lib/pele_platform/PPI 2021-04-25T19:35:50,373 copying pele_platform/PPI/simulation_launcher.py -> build/lib/pele_platform/PPI 2021-04-25T19:35:50,378 creating build/lib/pele_platform/constants 2021-04-25T19:35:50,379 copying pele_platform/constants/__init__.py -> build/lib/pele_platform/constants 2021-04-25T19:35:50,382 copying pele_platform/constants/pele_params.py -> build/lib/pele_platform/constants 2021-04-25T19:35:50,386 copying pele_platform/constants/constants.py -> build/lib/pele_platform/constants 2021-04-25T19:35:50,391 creating build/lib/pele_platform/gpcr 2021-04-25T19:35:50,393 copying pele_platform/gpcr/__init__.py -> build/lib/pele_platform/gpcr 2021-04-25T19:35:50,396 copying pele_platform/gpcr/main.py -> build/lib/pele_platform/gpcr 2021-04-25T19:35:50,400 creating build/lib/pele_platform/Errors 2021-04-25T19:35:50,401 copying pele_platform/Errors/__init__.py -> build/lib/pele_platform/Errors 2021-04-25T19:35:50,404 copying pele_platform/Errors/custom_errors.py -> build/lib/pele_platform/Errors 2021-04-25T19:35:50,408 creating build/lib/pele_platform/Adaptive 2021-04-25T19:35:50,410 copying pele_platform/Adaptive/__init__.py -> build/lib/pele_platform/Adaptive 2021-04-25T19:35:50,413 copying pele_platform/Adaptive/pca.py -> build/lib/pele_platform/Adaptive 2021-04-25T19:35:50,416 copying pele_platform/Adaptive/interaction_restrictions.py -> build/lib/pele_platform/Adaptive 2021-04-25T19:35:50,419 copying pele_platform/Adaptive/box.py -> build/lib/pele_platform/Adaptive 2021-04-25T19:35:50,422 copying pele_platform/Adaptive/metrics.py -> build/lib/pele_platform/Adaptive 2021-04-25T19:35:50,425 copying pele_platform/Adaptive/simulation.py -> build/lib/pele_platform/Adaptive 2021-04-25T19:35:50,429 copying pele_platform/Adaptive/solvent.py -> build/lib/pele_platform/Adaptive 2021-04-25T19:35:50,432 copying pele_platform/Adaptive/ligand_parametrization.py -> build/lib/pele_platform/Adaptive 2021-04-25T19:35:50,437 creating build/lib/pele_platform/features 2021-04-25T19:35:50,438 copying pele_platform/features/__init__.py -> build/lib/pele_platform/features 2021-04-25T19:35:50,441 copying pele_platform/features/frag.py -> build/lib/pele_platform/features 2021-04-25T19:35:50,444 copying pele_platform/features/adaptive.py -> build/lib/pele_platform/features 2021-04-25T19:35:50,449 creating build/lib/pele_platform/RNA 2021-04-25T19:35:50,450 copying pele_platform/RNA/__init__.py -> build/lib/pele_platform/RNA 2021-04-25T19:35:50,453 copying pele_platform/RNA/prep.py -> build/lib/pele_platform/RNA 2021-04-25T19:35:50,457 creating build/lib/pele_platform/Utilities 2021-04-25T19:35:50,459 copying pele_platform/Utilities/__init__.py -> build/lib/pele_platform/Utilities 2021-04-25T19:35:50,463 creating build/lib/pele_platform/Frag/parameters 2021-04-25T19:35:50,464 copying pele_platform/Frag/parameters/__init__.py -> build/lib/pele_platform/Frag/parameters 2021-04-25T19:35:50,468 copying pele_platform/Frag/parameters/files.py -> build/lib/pele_platform/Frag/parameters 2021-04-25T19:35:50,472 copying pele_platform/Frag/parameters/water.py -> build/lib/pele_platform/Frag/parameters 2021-04-25T19:35:50,475 copying pele_platform/Frag/parameters/optional.py -> build/lib/pele_platform/Frag/parameters 2021-04-25T19:35:50,479 copying pele_platform/Frag/parameters/metrics.py -> build/lib/pele_platform/Frag/parameters 2021-04-25T19:35:50,482 copying pele_platform/Frag/parameters/simulation.py -> build/lib/pele_platform/Frag/parameters 2021-04-25T19:35:50,487 creating build/lib/pele_platform/Utilities/Parameters 2021-04-25T19:35:50,488 copying pele_platform/Utilities/Parameters/__init__.py -> build/lib/pele_platform/Utilities/Parameters 2021-04-25T19:35:50,492 copying pele_platform/Utilities/Parameters/parameters.py -> build/lib/pele_platform/Utilities/Parameters 2021-04-25T19:35:50,498 creating build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,500 copying pele_platform/Utilities/Helpers/__init__.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,504 copying pele_platform/Utilities/Helpers/launcher.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,507 copying pele_platform/Utilities/Helpers/system_prep.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,511 copying pele_platform/Utilities/Helpers/map_atoms.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,515 copying pele_platform/Utilities/Helpers/solventOBCParamsGenerator.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,519 copying pele_platform/Utilities/Helpers/conda_deployment.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,522 copying pele_platform/Utilities/Helpers/water.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,526 copying pele_platform/Utilities/Helpers/template_builder.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,530 copying pele_platform/Utilities/Helpers/missing_residues.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,533 copying pele_platform/Utilities/Helpers/helpers.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,538 copying pele_platform/Utilities/Helpers/plop_launcher.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,541 copying pele_platform/Utilities/Helpers/bestStructs.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,545 copying pele_platform/Utilities/Helpers/randomize.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,549 copying pele_platform/Utilities/Helpers/interaction_constraints.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,553 copying pele_platform/Utilities/Helpers/yaml_parser.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,557 copying pele_platform/Utilities/Helpers/calculatePCA4PELE.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,562 copying pele_platform/Utilities/Helpers/simulation.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,566 copying pele_platform/Utilities/Helpers/protein_wizard.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,569 copying pele_platform/Utilities/Helpers/center_of_mass.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-25T19:35:50,573 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-04-25T19:35:50,575 copying pele_platform/Utilities/Parameters/SimulationParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-04-25T19:35:50,578 copying pele_platform/Utilities/Parameters/SimulationParams/simulation_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-04-25T19:35:50,584 creating build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-04-25T19:35:50,585 copying pele_platform/Utilities/Parameters/SimulationFolders/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-04-25T19:35:50,588 copying pele_platform/Utilities/Parameters/SimulationFolders/simulation_folders.py -> build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-04-25T19:35:50,593 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-04-25T19:35:50,595 copying pele_platform/Utilities/Parameters/SimulationParams/InOutParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-04-25T19:35:50,598 copying pele_platform/Utilities/Parameters/SimulationParams/InOutParams/inout_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-04-25T19:35:50,602 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-04-25T19:35:50,604 copying pele_platform/Utilities/Parameters/SimulationParams/PCA/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-04-25T19:35:50,607 copying pele_platform/Utilities/Parameters/SimulationParams/PCA/pca.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-04-25T19:35:50,611 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-04-25T19:35:50,613 copying pele_platform/Utilities/Parameters/SimulationParams/site_finder/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-04-25T19:35:50,616 copying pele_platform/Utilities/Parameters/SimulationParams/site_finder/site_finder.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-04-25T19:35:50,621 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-04-25T19:35:50,622 copying pele_platform/Utilities/Parameters/SimulationParams/PPI/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-04-25T19:35:50,626 copying pele_platform/Utilities/Parameters/SimulationParams/PPI/ppi.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-04-25T19:35:50,630 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-04-25T19:35:50,631 copying pele_platform/Utilities/Parameters/SimulationParams/GlideParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-04-25T19:35:50,635 copying pele_platform/Utilities/Parameters/SimulationParams/GlideParams/glide_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-04-25T19:35:50,639 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-04-25T19:35:50,641 copying pele_platform/Utilities/Parameters/SimulationParams/MSMParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-04-25T19:35:50,644 copying pele_platform/Utilities/Parameters/SimulationParams/MSMParams/msm_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-04-25T19:35:50,648 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-04-25T19:35:50,650 copying pele_platform/Utilities/Parameters/SimulationParams/BiasParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-04-25T19:35:50,653 copying pele_platform/Utilities/Parameters/SimulationParams/BiasParams/bias_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-04-25T19:35:50,658 creating build/lib/pele_platform/Utilities/Helpers/constraints 2021-04-25T19:35:50,659 copying pele_platform/Utilities/Helpers/constraints/__init__.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-04-25T19:35:50,662 copying pele_platform/Utilities/Helpers/constraints/alpha_constraints.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-04-25T19:35:50,666 copying pele_platform/Utilities/Helpers/constraints/smiles_constraints.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-04-25T19:35:50,671 creating build/lib/pele_platform/Utilities/Helpers/Metals 2021-04-25T19:35:50,673 copying pele_platform/Utilities/Helpers/Metals/__init__.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-04-25T19:35:50,676 copying pele_platform/Utilities/Helpers/Metals/metal_polarisation.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-04-25T19:35:50,679 copying pele_platform/Utilities/Helpers/Metals/metal_constraints.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-04-25T19:35:50,683 running egg_info 2021-04-25T19:35:50,701 writing top-level names to pele_platform.egg-info/top_level.txt 2021-04-25T19:35:50,703 writing pele_platform.egg-info/PKG-INFO 2021-04-25T19:35:50,707 writing requirements to pele_platform.egg-info/requires.txt 2021-04-25T19:35:50,709 writing dependency_links to pele_platform.egg-info/dependency_links.txt 2021-04-25T19:35:50,747 reading manifest file 'pele_platform.egg-info/SOURCES.txt' 2021-04-25T19:35:50,769 reading manifest template 'MANIFEST.in' 2021-04-25T19:35:50,771 warning: no files found matching 'pele_platform/Utilities/PlopRotTemp/param/*' 2021-04-25T19:35:50,771 warning: no files found matching 'pele_platform/AdaptivePELE/atomset/*' 2021-04-25T19:35:50,772 warning: no files found matching 'pele_platform/AdaptivePELE/freeEnergies/*' 2021-04-25T19:35:50,773 warning: no files found matching '*' under directory 'pele_platform/Utilities/PPP/Data/' 2021-04-25T19:35:51,035 warning: no files found matching '*' under directory 'tests/data' 2021-04-25T19:35:51,089 writing manifest file 'pele_platform.egg-info/SOURCES.txt' 2021-04-25T19:35:51,169 creating build/lib/pele_platform/Examples 2021-04-25T19:35:51,171 copying pele_platform/Examples/test.sl -> build/lib/pele_platform/Examples 2021-04-25T19:35:51,175 creating build/lib/pele_platform/Examples/Adaptive 2021-04-25T19:35:51,177 copying pele_platform/Examples/Adaptive/STR.rot.assign -> build/lib/pele_platform/Examples/Adaptive 2021-04-25T19:35:51,181 copying pele_platform/Examples/Adaptive/adaptive.conf -> build/lib/pele_platform/Examples/Adaptive 2021-04-25T19:35:51,184 copying pele_platform/Examples/Adaptive/pele_file_4Adaptive.conf -> build/lib/pele_platform/Examples/Adaptive 2021-04-25T19:35:51,189 copying pele_platform/Examples/Adaptive/strz -> build/lib/pele_platform/Examples/Adaptive 2021-04-25T19:35:51,195 copying pele_platform/Examples/Adaptive/test.sl -> build/lib/pele_platform/Examples/Adaptive 2021-04-25T19:35:51,199 creating build/lib/pele_platform/Examples/Msm 2021-04-25T19:35:51,200 copying pele_platform/Examples/Msm/AS4_INIT.mae -> build/lib/pele_platform/Examples/Msm 2021-04-25T19:35:51,205 copying pele_platform/Examples/Msm/PR_1A28_protein.pdb -> build/lib/pele_platform/Examples/Msm 2021-04-25T19:35:51,224 copying pele_platform/Examples/Msm/PR_1A28_xray_-_minimized.pdb -> build/lib/pele_platform/Examples/Msm 2021-04-25T19:35:51,243 copying pele_platform/Examples/Msm/PR_1A28_xray_-_minimized_processed.pdb -> build/lib/pele_platform/Examples/Msm 2021-04-25T19:35:51,261 copying pele_platform/Examples/Msm/PR_AS4.pdb -> build/lib/pele_platform/Examples/Msm 2021-04-25T19:35:51,280 copying pele_platform/Examples/Msm/input.yaml -> build/lib/pele_platform/Examples/Msm 2021-04-25T19:35:51,284 creating build/lib/pele_platform/Examples/PPI 2021-04-25T19:35:51,285 copying pele_platform/Examples/PPI/1f47_ligand.pdb -> build/lib/pele_platform/Examples/PPI 2021-04-25T19:35:51,290 copying pele_platform/Examples/PPI/1f47_prep.pdb -> build/lib/pele_platform/Examples/PPI 2021-04-25T19:35:51,302 copying pele_platform/Examples/PPI/1tnf_ligand.pdb -> build/lib/pele_platform/Examples/PPI 2021-04-25T19:35:51,306 copying pele_platform/Examples/PPI/1tnf_prep.pdb -> build/lib/pele_platform/Examples/PPI 2021-04-25T19:35:51,335 copying pele_platform/Examples/PPI/input.yaml -> build/lib/pele_platform/Examples/PPI 2021-04-25T19:35:51,339 copying pele_platform/Examples/PPI/input_folder.yaml -> build/lib/pele_platform/Examples/PPI 2021-04-25T19:35:51,342 copying pele_platform/Examples/PPI/input_skipref.yaml -> build/lib/pele_platform/Examples/PPI 2021-04-25T19:35:51,346 creating build/lib/pele_platform/Examples/RNA 2021-04-25T19:35:51,348 copying pele_platform/Examples/RNA/2l94.yaml -> build/lib/pele_platform/Examples/RNA 2021-04-25T19:35:51,352 copying pele_platform/Examples/RNA/5C45_prep.pdb -> build/lib/pele_platform/Examples/RNA 2021-04-25T19:35:51,373 copying pele_platform/Examples/RNA/5C45_prep_proc.pdb -> build/lib/pele_platform/Examples/RNA 2021-04-25T19:35:51,393 copying pele_platform/Examples/RNA/input.yaml -> build/lib/pele_platform/Examples/RNA 2021-04-25T19:35:51,397 copying pele_platform/Examples/RNA/input_induced.yaml -> build/lib/pele_platform/Examples/RNA 2021-04-25T19:35:51,400 creating build/lib/pele_platform/Examples/analysis 2021-04-25T19:35:51,402 copying pele_platform/Examples/analysis/input.yaml -> build/lib/pele_platform/Examples/analysis 2021-04-25T19:35:51,406 copying pele_platform/Examples/analysis/input_flags.yaml -> build/lib/pele_platform/Examples/analysis 2021-04-25T19:35:51,410 copying pele_platform/Examples/analysis/input_flags0.yaml -> build/lib/pele_platform/Examples/analysis 2021-04-25T19:35:51,413 copying pele_platform/Examples/analysis/input_xtc.yaml -> build/lib/pele_platform/Examples/analysis 2021-04-25T19:35:51,417 creating build/lib/pele_platform/Examples/analysis/data 2021-04-25T19:35:51,419 copying pele_platform/Examples/analysis/data/MG.rot.assign -> build/lib/pele_platform/Examples/analysis/data 2021-04-25T19:35:51,422 copying pele_platform/Examples/analysis/data/STR.rot.assign -> build/lib/pele_platform/Examples/analysis/data 2021-04-25T19:35:51,425 copying pele_platform/Examples/analysis/data/adaptive.conf -> build/lib/pele_platform/Examples/analysis/data 2021-04-25T19:35:51,430 copying pele_platform/Examples/analysis/data/input.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-04-25T19:35:51,433 copying pele_platform/Examples/analysis/data/input_flags.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-04-25T19:35:51,437 copying pele_platform/Examples/analysis/data/input_flags0.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-04-25T19:35:51,441 copying pele_platform/Examples/analysis/data/input_mae.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-04-25T19:35:51,445 copying pele_platform/Examples/analysis/data/mgz -> build/lib/pele_platform/Examples/analysis/data 2021-04-25T19:35:51,448 copying pele_platform/Examples/analysis/data/pele.conf -> build/lib/pele_platform/Examples/analysis/data 2021-04-25T19:35:51,452 copying pele_platform/Examples/analysis/data/strz -> build/lib/pele_platform/Examples/analysis/data 2021-04-25T19:35:51,455 creating build/lib/pele_platform/Examples/analysis/data/inputs 2021-04-25T19:35:51,457 copying pele_platform/Examples/analysis/data/inputs/input1.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-04-25T19:35:51,476 copying pele_platform/Examples/analysis/data/inputs/input2.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-04-25T19:35:51,495 copying pele_platform/Examples/analysis/data/inputs/input3.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-04-25T19:35:51,514 creating build/lib/pele_platform/Examples/analysis/data/output 2021-04-25T19:35:51,516 copying pele_platform/Examples/analysis/data/output/originalControlFile.conf -> build/lib/pele_platform/Examples/analysis/data/output 2021-04-25T19:35:51,520 creating build/lib/pele_platform/Examples/analysis/data/output/0 2021-04-25T19:35:51,521 copying pele_platform/Examples/analysis/data/output/0/report_1 -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-04-25T19:35:51,525 copying pele_platform/Examples/analysis/data/output/0/topologyMapping.txt -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-04-25T19:35:51,529 copying pele_platform/Examples/analysis/data/output/0/trajectory_1.pdb -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-04-25T19:35:51,548 creating build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-04-25T19:35:51,549 copying pele_platform/Examples/analysis/data/output/0/clustering/object.pkl -> build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-04-25T19:35:51,569 copying pele_platform/Examples/analysis/data/output/0/clustering/summary.txt -> build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-04-25T19:35:51,573 creating build/lib/pele_platform/Examples/analysis/data/output/synchronization 2021-04-25T19:35:51,574 copying pele_platform/Examples/analysis/data/output/synchronization/syncFile.lock -> build/lib/pele_platform/Examples/analysis/data/output/synchronization 2021-04-25T19:35:51,578 creating build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-04-25T19:35:51,580 copying pele_platform/Examples/analysis/data/output/topologies/topologies.pkl -> build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-04-25T19:35:51,599 copying pele_platform/Examples/analysis/data/output/topologies/topology_0.pdb -> build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-04-25T19:35:51,618 creating build/lib/pele_platform/Examples/analysis/data/xtc 2021-04-25T19:35:51,619 copying pele_platform/Examples/analysis/data/xtc/summary.csv -> build/lib/pele_platform/Examples/analysis/data/xtc 2021-04-25T19:35:51,623 creating build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-04-25T19:35:51,625 copying pele_platform/Examples/analysis/data/xtc/0/report_1 -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-04-25T19:35:51,629 copying pele_platform/Examples/analysis/data/xtc/0/report_2 -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-04-25T19:35:51,632 copying pele_platform/Examples/analysis/data/xtc/0/trajectory_1.xtc -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-04-25T19:35:51,637 copying pele_platform/Examples/analysis/data/xtc/0/trajectory_2.xtc -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-04-25T19:35:51,641 creating build/lib/pele_platform/Examples/analysis/data/xtc/topologies 2021-04-25T19:35:51,643 copying pele_platform/Examples/analysis/data/xtc/topologies/topology_0.pdb -> build/lib/pele_platform/Examples/analysis/data/xtc/topologies 2021-04-25T19:35:51,651 creating build/lib/pele_platform/Examples/bias 2021-04-25T19:35:51,653 copying pele_platform/Examples/bias/complex.pdb -> build/lib/pele_platform/Examples/bias 2021-04-25T19:35:51,672 copying pele_platform/Examples/bias/input_defaults.yaml -> build/lib/pele_platform/Examples/bias 2021-04-25T19:35:51,676 creating build/lib/pele_platform/Examples/box 2021-04-25T19:35:51,677 copying pele_platform/Examples/box/input.yaml -> build/lib/pele_platform/Examples/box 2021-04-25T19:35:51,681 creating build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,683 copying pele_platform/Examples/checker/complex.pdb -> build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,705 copying pele_platform/Examples/checker/complex2.pdb -> build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,719 copying pele_platform/Examples/checker/complex_unk.yaml -> build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,750 copying pele_platform/Examples/checker/input.yaml -> build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,754 copying pele_platform/Examples/checker/input_atom_string.yaml -> build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,757 copying pele_platform/Examples/checker/input_env.yaml -> build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,761 copying pele_platform/Examples/checker/input_map_atom_num.yaml -> build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,765 copying pele_platform/Examples/checker/input_map_atom_str.yaml -> build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,768 copying pele_platform/Examples/checker/input_pele_exec.yaml -> build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,772 copying pele_platform/Examples/checker/input_rotamer.yaml -> build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,775 copying pele_platform/Examples/checker/input_space.yaml -> build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,779 copying pele_platform/Examples/checker/input_tab.yaml -> build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,782 copying pele_platform/Examples/checker/input_template.yaml -> build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,786 copying pele_platform/Examples/checker/input_underscore.yaml -> build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,790 copying pele_platform/Examples/checker/input_unk.yaml -> build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,793 copying pele_platform/Examples/checker/ligand2.pdb -> build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,798 copying pele_platform/Examples/checker/mapping_complex.pdb -> build/lib/pele_platform/Examples/checker 2021-04-25T19:35:51,834 creating build/lib/pele_platform/Examples/clustering 2021-04-25T19:35:51,836 copying pele_platform/Examples/clustering/summary.csv -> build/lib/pele_platform/Examples/clustering 2021-04-25T19:35:51,841 creating build/lib/pele_platform/Examples/clustering/0 2021-04-25T19:35:51,843 copying pele_platform/Examples/clustering/0/report_1 -> build/lib/pele_platform/Examples/clustering/0 2021-04-25T19:35:51,847 copying pele_platform/Examples/clustering/0/report_2 -> build/lib/pele_platform/Examples/clustering/0 2021-04-25T19:35:51,852 copying pele_platform/Examples/clustering/0/report_3 -> build/lib/pele_platform/Examples/clustering/0 2021-04-25T19:35:51,856 copying pele_platform/Examples/clustering/0/report_4 -> build/lib/pele_platform/Examples/clustering/0 2021-04-25T19:35:51,860 copying pele_platform/Examples/clustering/0/topologyMapping.txt -> build/lib/pele_platform/Examples/clustering/0 2021-04-25T19:35:51,865 copying pele_platform/Examples/clustering/0/trajectory_1.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-04-25T19:35:51,901 copying pele_platform/Examples/clustering/0/trajectory_2.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-04-25T19:35:51,928 copying pele_platform/Examples/clustering/0/trajectory_3.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-04-25T19:35:51,966 copying pele_platform/Examples/clustering/0/trajectory_4.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-04-25T19:35:52,002 creating build/lib/pele_platform/Examples/clustering/0/clustering 2021-04-25T19:35:52,004 copying pele_platform/Examples/clustering/0/clustering/object.pkl -> build/lib/pele_platform/Examples/clustering/0/clustering 2021-04-25T19:35:52,115 copying pele_platform/Examples/clustering/0/clustering/summary.txt -> build/lib/pele_platform/Examples/clustering/0/clustering 2021-04-25T19:35:52,120 creating build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,123 copying pele_platform/Examples/constraints/1zop.pdb -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,139 copying pele_platform/Examples/constraints/4l3a_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,171 copying pele_platform/Examples/constraints/4qnr_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,201 copying pele_platform/Examples/constraints/4w4o_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,220 copying pele_platform/Examples/constraints/4w5i_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,236 copying pele_platform/Examples/constraints/4zu9_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,289 copying pele_platform/Examples/constraints/ca_constraints.pdb -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,319 copying pele_platform/Examples/constraints/complex_smiles_error.pdb -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,340 copying pele_platform/Examples/constraints/fail_input_permissive_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,343 copying pele_platform/Examples/constraints/input_all_metal_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,347 copying pele_platform/Examples/constraints/input_ca_noppp.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,350 copying pele_platform/Examples/constraints/input_ca_ppp.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,354 copying pele_platform/Examples/constraints/input_constrain_smarts.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,358 copying pele_platform/Examples/constraints/input_constrain_smiles.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,362 copying pele_platform/Examples/constraints/input_external_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,367 copying pele_platform/Examples/constraints/input_ignore.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,373 copying pele_platform/Examples/constraints/input_k.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,377 copying pele_platform/Examples/constraints/input_metals.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,381 copying pele_platform/Examples/constraints/input_no_metal_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,384 copying pele_platform/Examples/constraints/input_permissive_exception.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,390 copying pele_platform/Examples/constraints/input_smiles_error.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,395 copying pele_platform/Examples/constraints/input_square_planar.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,401 copying pele_platform/Examples/constraints/input_square_planar_polarisation.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,407 copying pele_platform/Examples/constraints/input_tetrahedral.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,410 copying pele_platform/Examples/constraints/pass_input_permissive_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-25T19:35:52,413 creating build/lib/pele_platform/Examples/enzyme_engineering 2021-04-25T19:35:52,415 copying pele_platform/Examples/enzyme_engineering/restart_saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering 2021-04-25T19:35:52,419 copying pele_platform/Examples/enzyme_engineering/saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering 2021-04-25T19:35:52,422 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-04-25T19:35:52,423 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/completed_mutations.log -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-04-25T19:35:52,427 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-04-25T19:35:52,429 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 2021-04-25T19:35:52,433 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 2021-04-25T19:35:52,436 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 2021-04-25T19:35:52,441 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 2021-04-25T19:35:52,445 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal 2021-04-25T19:35:52,447 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-04-25T19:35:52,451 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 2021-04-25T19:35:52,457 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates 2021-04-25T19:35:52,459 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005 2021-04-25T19:35:52,460 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-04-25T19:35:52,463 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 2021-04-25T19:35:52,469 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-04-25T19:35:52,470 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 2021-04-25T19:35:52,500 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 2021-04-25T19:35:52,531 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 2021-04-25T19:35:52,560 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 2021-04-25T19:35:52,590 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 2021-04-25T19:35:52,593 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 2021-04-25T19:35:52,623 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-04-25T19:35:52,624 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 2021-04-25T19:35:52,628 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-04-25T19:35:52,630 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 2021-04-25T19:35:52,636 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-04-25T19:35:52,638 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 2021-04-25T19:35:52,644 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 2021-04-25T19:35:52,649 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-04-25T19:35:52,651 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 2021-04-25T19:35:52,655 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 2021-04-25T19:35:52,658 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 2021-04-25T19:35:52,716 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 2021-04-25T19:35:52,774 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-04-25T19:35:52,775 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 2021-04-25T19:35:52,779 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 2021-04-25T19:35:52,783 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 2021-04-25T19:35:52,837 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 2021-04-25T19:35:52,894 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-04-25T19:35:52,896 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 2021-04-25T19:35:52,900 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-04-25T19:35:52,902 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 2021-04-25T19:35:53,307 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 2021-04-25T19:35:53,342 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 2021-04-25T19:35:53,375 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-04-25T19:35:53,376 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 2021-04-25T19:35:53,381 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 2021-04-25T19:35:53,411 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 2021-04-25T19:35:53,440 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-04-25T19:35:53,442 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 2021-04-25T19:35:53,446 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 2021-04-25T19:35:53,450 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 2021-04-25T19:35:53,455 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 2021-04-25T19:35:53,461 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-04-25T19:35:53,463 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 2021-04-25T19:35:53,497 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 2021-04-25T19:35:53,527 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 2021-04-25T19:35:53,530 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 2021-04-25T19:35:53,562 creating build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-04-25T19:35:53,564 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454A.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-04-25T19:35:53,594 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454D.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-04-25T19:35:53,624 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454E.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-04-25T19:35:53,653 creating build/lib/pele_platform/Examples/exit 2021-04-25T19:35:53,654 copying pele_platform/Examples/exit/input.yaml -> build/lib/pele_platform/Examples/exit 2021-04-25T19:35:53,659 copying pele_platform/Examples/exit/input_defaults.yaml -> build/lib/pele_platform/Examples/exit 2021-04-25T19:35:53,664 creating build/lib/pele_platform/Examples/exit_soft 2021-04-25T19:35:53,667 copying pele_platform/Examples/exit_soft/input.yaml -> build/lib/pele_platform/Examples/exit_soft 2021-04-25T19:35:53,673 copying pele_platform/Examples/exit_soft/input_defaults.yaml -> build/lib/pele_platform/Examples/exit_soft 2021-04-25T19:35:53,678 creating build/lib/pele_platform/Examples/flags 2021-04-25T19:35:53,679 copying pele_platform/Examples/flags/input.yaml -> build/lib/pele_platform/Examples/flags 2021-04-25T19:35:53,683 creating build/lib/pele_platform/Examples/frag 2021-04-25T19:35:53,684 copying pele_platform/Examples/frag/1w7h_preparation_structure_2w.pdb -> build/lib/pele_platform/Examples/frag 2021-04-25T19:35:53,711 copying pele_platform/Examples/frag/1w7h_preparation_structure_2w_processed.pdb -> build/lib/pele_platform/Examples/frag 2021-04-25T19:35:53,740 copying pele_platform/Examples/frag/amino.pdb -> build/lib/pele_platform/Examples/frag 2021-04-25T19:35:53,744 copying pele_platform/Examples/frag/core.pdb -> build/lib/pele_platform/Examples/frag 2021-04-25T19:35:53,747 copying pele_platform/Examples/frag/flags.conf -> build/lib/pele_platform/Examples/frag 2021-04-25T19:35:53,751 copying pele_platform/Examples/frag/input_ai.yaml -> build/lib/pele_platform/Examples/frag 2021-04-25T19:35:53,754 copying pele_platform/Examples/frag/input_core.yaml -> build/lib/pele_platform/Examples/frag 2021-04-25T19:35:53,758 copying pele_platform/Examples/frag/input_core_sdf.yaml -> build/lib/pele_platform/Examples/frag 2021-04-25T19:35:53,763 copying pele_platform/Examples/frag/input_flags.yaml -> build/lib/pele_platform/Examples/frag 2021-04-25T19:35:53,768 copying pele_platform/Examples/frag/input_lib_pdb.yaml -> build/lib/pele_platform/Examples/frag 2021-04-25T19:35:53,774 copying pele_platform/Examples/frag/input_lib_sdf.yaml -> build/lib/pele_platform/Examples/frag 2021-04-25T19:35:53,779 copying pele_platform/Examples/frag/input_point_analysis.yaml -> build/lib/pele_platform/Examples/frag 2021-04-25T19:35:53,783 copying pele_platform/Examples/frag/input_sim.yaml -> build/lib/pele_platform/Examples/frag 2021-04-25T19:35:53,787 copying pele_platform/Examples/frag/input_symmetry.yaml -> build/lib/pele_platform/Examples/frag 2021-04-25T19:35:53,790 copying pele_platform/Examples/frag/ligands.sdf -> build/lib/pele_platform/Examples/frag 2021-04-25T19:35:53,794 copying pele_platform/Examples/frag/sequential.conf -> build/lib/pele_platform/Examples/frag 2021-04-25T19:35:53,797 creating build/lib/pele_platform/Examples/frag/analysis_data 2021-04-25T19:35:53,798 creating build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1 2021-04-25T19:35:53,799 creating build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-04-25T19:35:53,802 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 2021-04-25T19:35:53,839 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 2021-04-25T19:35:53,868 creating build/lib/pele_platform/Examples/frag/checker 2021-04-25T19:35:53,870 copying pele_platform/Examples/frag/checker/4RFM_proc.pdb -> build/lib/pele_platform/Examples/frag/checker 2021-04-25T19:35:53,875 copying pele_platform/Examples/frag/checker/4RFM_series.sdf -> build/lib/pele_platform/Examples/frag/checker 2021-04-25T19:35:53,880 copying pele_platform/Examples/frag/checker/receptor.sdf -> build/lib/pele_platform/Examples/frag/checker 2021-04-25T19:35:53,899 creating build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-04-25T19:35:53,901 copying pele_platform/Examples/frag/pdb_test_lib/mol1.pdb -> build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-04-25T19:35:53,905 copying pele_platform/Examples/frag/pdb_test_lib/mol2.pdb -> build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-04-25T19:35:53,909 creating build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:53,910 copying pele_platform/Examples/frag/sdf_joiner/13_serie.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:53,918 copying pele_platform/Examples/frag/sdf_joiner/4RFM_core_sc.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:53,942 copying pele_platform/Examples/frag/sdf_joiner/4RFM_proc.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:53,966 copying pele_platform/Examples/frag/sdf_joiner/4RFM_series.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:53,971 copying pele_platform/Examples/frag/sdf_joiner/core2.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:53,990 copying pele_platform/Examples/frag/sdf_joiner/core3.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:53,999 copying pele_platform/Examples/frag/sdf_joiner/frag.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:54,004 copying pele_platform/Examples/frag/sdf_joiner/frag.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:54,007 copying pele_platform/Examples/frag/sdf_joiner/frag2.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:54,013 copying pele_platform/Examples/frag/sdf_joiner/frag2.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:54,017 copying pele_platform/Examples/frag/sdf_joiner/frag3.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:54,023 copying pele_platform/Examples/frag/sdf_joiner/frag3.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:54,026 copying pele_platform/Examples/frag/sdf_joiner/frag31.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:54,032 copying pele_platform/Examples/frag/sdf_joiner/frag4.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:54,036 copying pele_platform/Examples/frag/sdf_joiner/frag5.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:54,039 copying pele_platform/Examples/frag/sdf_joiner/glide-dockSARS_core.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:54,076 creating build/lib/pele_platform/Examples/frag/sdf_test_lib 2021-04-25T19:35:54,077 copying pele_platform/Examples/frag/sdf_test_lib/test_library.sdf -> build/lib/pele_platform/Examples/frag/sdf_test_lib 2021-04-25T19:35:54,081 creating build/lib/pele_platform/Examples/global 2021-04-25T19:35:54,082 copying pele_platform/Examples/global/input.yaml -> build/lib/pele_platform/Examples/global 2021-04-25T19:35:54,088 copying pele_platform/Examples/global/input_defaults.yaml -> build/lib/pele_platform/Examples/global 2021-04-25T19:35:54,093 copying pele_platform/Examples/global/input_inputs.yaml -> build/lib/pele_platform/Examples/global 2021-04-25T19:35:54,099 copying pele_platform/Examples/global/input_inputs_asterisc.yaml -> build/lib/pele_platform/Examples/global 2021-04-25T19:35:54,104 creating build/lib/pele_platform/Examples/gpcr 2021-04-25T19:35:54,106 copying pele_platform/Examples/gpcr/complex.pdb -> build/lib/pele_platform/Examples/gpcr 2021-04-25T19:35:54,127 copying pele_platform/Examples/gpcr/complex_processed.pdb -> build/lib/pele_platform/Examples/gpcr 2021-04-25T19:35:54,147 copying pele_platform/Examples/gpcr/input.yaml -> build/lib/pele_platform/Examples/gpcr 2021-04-25T19:35:54,151 copying pele_platform/Examples/gpcr/input_atom_error.yaml -> build/lib/pele_platform/Examples/gpcr 2021-04-25T19:35:54,154 copying pele_platform/Examples/gpcr/input_defaults.yaml -> build/lib/pele_platform/Examples/gpcr 2021-04-25T19:35:54,157 copying pele_platform/Examples/gpcr/input_defaults2.yaml -> build/lib/pele_platform/Examples/gpcr 2021-04-25T19:35:54,161 creating build/lib/pele_platform/Examples/induced_fit 2021-04-25T19:35:54,162 copying pele_platform/Examples/induced_fit/input_exhaustive.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-04-25T19:35:54,166 copying pele_platform/Examples/induced_fit/input_exhaustive_defaults.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-04-25T19:35:54,169 copying pele_platform/Examples/induced_fit/input_fast.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-04-25T19:35:54,172 copying pele_platform/Examples/induced_fit/input_fast_defaults.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-04-25T19:35:54,176 copying pele_platform/Examples/induced_fit/input_mae.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-04-25T19:35:54,179 creating build/lib/pele_platform/Examples/inputs 2021-04-25T19:35:54,181 copying pele_platform/Examples/inputs/input.yaml -> build/lib/pele_platform/Examples/inputs 2021-04-25T19:35:54,185 copying pele_platform/Examples/inputs/mn4.sl -> build/lib/pele_platform/Examples/inputs 2021-04-25T19:35:54,188 copying pele_platform/Examples/inputs/nord3.sge -> build/lib/pele_platform/Examples/inputs 2021-04-25T19:35:54,193 creating build/lib/pele_platform/Examples/interaction_restrictions 2021-04-25T19:35:54,195 copying pele_platform/Examples/interaction_restrictions/complex.pdb -> build/lib/pele_platform/Examples/interaction_restrictions 2021-04-25T19:35:54,228 copying pele_platform/Examples/interaction_restrictions/input.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-04-25T19:35:54,233 copying pele_platform/Examples/interaction_restrictions/input_error.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-04-25T19:35:54,239 copying pele_platform/Examples/interaction_restrictions/input_error_2.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-04-25T19:35:54,245 creating build/lib/pele_platform/Examples/interaction_restrictions/out 2021-04-25T19:35:54,247 copying pele_platform/Examples/interaction_restrictions/out/expected_conditions.txt -> build/lib/pele_platform/Examples/interaction_restrictions/out 2021-04-25T19:35:54,251 copying pele_platform/Examples/interaction_restrictions/out/expected_metrics.txt -> build/lib/pele_platform/Examples/interaction_restrictions/out 2021-04-25T19:35:54,255 creating build/lib/pele_platform/Examples/out_in 2021-04-25T19:35:54,257 copying pele_platform/Examples/out_in/1_3ZON_complex.pdb -> build/lib/pele_platform/Examples/out_in 2021-04-25T19:35:54,279 copying pele_platform/Examples/out_in/input.yaml -> build/lib/pele_platform/Examples/out_in 2021-04-25T19:35:54,285 copying pele_platform/Examples/out_in/input_default.yaml -> build/lib/pele_platform/Examples/out_in 2021-04-25T19:35:54,291 copying pele_platform/Examples/out_in/input_flag_error.yaml -> build/lib/pele_platform/Examples/out_in 2021-04-25T19:35:54,297 creating build/lib/pele_platform/Examples/pca 2021-04-25T19:35:54,299 copying pele_platform/Examples/pca/1.pdb -> build/lib/pele_platform/Examples/pca 2021-04-25T19:35:54,322 copying pele_platform/Examples/pca/2.pdb -> build/lib/pele_platform/Examples/pca 2021-04-25T19:35:54,347 copying pele_platform/Examples/pca/3.pdb -> build/lib/pele_platform/Examples/pca 2021-04-25T19:35:54,478 copying pele_platform/Examples/pca/input.yaml -> build/lib/pele_platform/Examples/pca 2021-04-25T19:35:54,484 copying pele_platform/Examples/pca/input_str.yaml -> build/lib/pele_platform/Examples/pca 2021-04-25T19:35:54,490 creating build/lib/pele_platform/Examples/preparation 2021-04-25T19:35:54,493 copying pele_platform/Examples/preparation/6qmk_correct.pdb -> build/lib/pele_platform/Examples/preparation 2021-04-25T19:35:54,520 copying pele_platform/Examples/preparation/6qmk_repeated.pdb -> build/lib/pele_platform/Examples/preparation 2021-04-25T19:35:54,679 copying pele_platform/Examples/preparation/complex.pdb -> build/lib/pele_platform/Examples/preparation 2021-04-25T19:35:54,818 copying pele_platform/Examples/preparation/complex_2.pdb -> build/lib/pele_platform/Examples/preparation 2021-04-25T19:35:54,958 copying pele_platform/Examples/preparation/input.yaml -> build/lib/pele_platform/Examples/preparation 2021-04-25T19:35:54,964 copying pele_platform/Examples/preparation/input_nonstandard.yaml -> build/lib/pele_platform/Examples/preparation 2021-04-25T19:35:54,971 copying pele_platform/Examples/preparation/input_space.yaml -> build/lib/pele_platform/Examples/preparation 2021-04-25T19:35:54,977 creating build/lib/pele_platform/Examples/production 2021-04-25T19:35:54,978 copying pele_platform/Examples/production/input.sl -> build/lib/pele_platform/Examples/production 2021-04-25T19:35:54,983 copying pele_platform/Examples/production/input_mae.yaml -> build/lib/pele_platform/Examples/production 2021-04-25T19:35:54,987 creating build/lib/pele_platform/Examples/rescoring 2021-04-25T19:35:54,989 copying pele_platform/Examples/rescoring/input.yaml -> build/lib/pele_platform/Examples/rescoring 2021-04-25T19:35:54,995 copying pele_platform/Examples/rescoring/input_defaults.yaml -> build/lib/pele_platform/Examples/rescoring 2021-04-25T19:35:55,001 creating build/lib/pele_platform/Examples/restart 2021-04-25T19:35:55,004 copying pele_platform/Examples/restart/input.yaml -> build/lib/pele_platform/Examples/restart 2021-04-25T19:35:55,010 creating build/lib/pele_platform/Examples/singularity 2021-04-25T19:35:55,013 copying pele_platform/Examples/singularity/input_adaptive.yaml -> build/lib/pele_platform/Examples/singularity 2021-04-25T19:35:55,142 copying pele_platform/Examples/singularity/input_frag.yaml -> build/lib/pele_platform/Examples/singularity 2021-04-25T19:35:55,149 creating build/lib/pele_platform/Examples/site_finder 2021-04-25T19:35:55,151 copying pele_platform/Examples/site_finder/complex.pdb -> build/lib/pele_platform/Examples/site_finder 2021-04-25T19:35:55,307 copying pele_platform/Examples/site_finder/input_folder.yaml -> build/lib/pele_platform/Examples/site_finder 2021-04-25T19:35:55,313 copying pele_platform/Examples/site_finder/input_global.yaml -> build/lib/pele_platform/Examples/site_finder 2021-04-25T19:35:55,319 copying pele_platform/Examples/site_finder/input_global_xtc.yaml -> build/lib/pele_platform/Examples/site_finder 2021-04-25T19:35:55,324 copying pele_platform/Examples/site_finder/input_restart.yaml -> build/lib/pele_platform/Examples/site_finder 2021-04-25T19:35:55,328 copying pele_platform/Examples/site_finder/input_skipref.yaml -> build/lib/pele_platform/Examples/site_finder 2021-04-25T19:35:55,465 creating build/lib/pele_platform/Examples/tutorials 2021-04-25T19:35:55,467 creating build/lib/pele_platform/Examples/tutorials/gpcr 2021-04-25T19:35:55,469 copying pele_platform/Examples/tutorials/gpcr/complex.pdb -> build/lib/pele_platform/Examples/tutorials/gpcr 2021-04-25T19:35:55,494 copying pele_platform/Examples/tutorials/gpcr/input.yaml -> build/lib/pele_platform/Examples/tutorials/gpcr 2021-04-25T19:35:55,498 creating build/lib/pele_platform/Examples/tutorials/induced_fit 2021-04-25T19:35:55,499 copying pele_platform/Examples/tutorials/induced_fit/docking.pdb -> build/lib/pele_platform/Examples/tutorials/induced_fit 2021-04-25T19:35:55,659 copying pele_platform/Examples/tutorials/induced_fit/input.yaml -> build/lib/pele_platform/Examples/tutorials/induced_fit 2021-04-25T19:35:55,665 creating build/lib/pele_platform/Examples/tutorials/ppi 2021-04-25T19:35:55,667 copying pele_platform/Examples/tutorials/ppi/4yy6_ligand.pdb -> build/lib/pele_platform/Examples/tutorials/ppi 2021-04-25T19:35:55,673 copying pele_platform/Examples/tutorials/ppi/4yy6_prep.pdb -> build/lib/pele_platform/Examples/tutorials/ppi 2021-04-25T19:35:55,685 copying pele_platform/Examples/tutorials/ppi/input.yaml -> build/lib/pele_platform/Examples/tutorials/ppi 2021-04-25T19:35:55,689 creating build/lib/pele_platform/Examples/water 2021-04-25T19:35:55,690 copying pele_platform/Examples/water/complex_induced.pdb -> build/lib/pele_platform/Examples/water 2021-04-25T19:35:55,701 copying pele_platform/Examples/water/complex_ref_LESSH2O.pdb -> build/lib/pele_platform/Examples/water 2021-04-25T19:35:55,723 copying pele_platform/Examples/water/input_all.yaml -> build/lib/pele_platform/Examples/water 2021-04-25T19:35:55,726 copying pele_platform/Examples/water/input_bs.yaml -> build/lib/pele_platform/Examples/water 2021-04-25T19:35:55,730 copying pele_platform/Examples/water/input_bs_defaults.yaml -> build/lib/pele_platform/Examples/water 2021-04-25T19:35:55,733 copying pele_platform/Examples/water/input_induced.yaml -> build/lib/pele_platform/Examples/water 2021-04-25T19:35:55,737 copying pele_platform/Examples/water/input_lig.yaml -> build/lib/pele_platform/Examples/water 2021-04-25T19:35:55,740 copying pele_platform/Examples/water/input_lig_defaults.yaml -> build/lib/pele_platform/Examples/water 2021-04-25T19:35:55,744 copying pele_platform/Examples/water/input_nwaters.yaml -> build/lib/pele_platform/Examples/water 2021-04-25T19:35:55,748 copying pele_platform/Examples/water/input_previous_water.yaml -> build/lib/pele_platform/Examples/water 2021-04-25T19:35:55,751 copying pele_platform/Examples/water/water_processed.pdb -> build/lib/pele_platform/Examples/water 2021-04-25T19:35:55,777 creating build/lib/pele_platform/Templates 2021-04-25T19:35:55,779 copying pele_platform/Templates/pele_template.conf -> build/lib/pele_platform/Templates 2021-04-25T19:35:55,784 copying pele_platform/Templates/solventParamsHCTOBC.txt -> build/lib/pele_platform/Templates 2021-04-25T19:35:55,791 copying pele_platform/Templates/template_adaptive.conf -> build/lib/pele_platform/Templates 2021-04-25T19:35:55,837 UPDATING build/lib/pele_platform/_version.py 2021-04-25T19:35:55,839 set build/lib/pele_platform/_version.py to '1.6.0b4' 2021-04-25T19:35:55,844 installing to build/bdist.linux-armv7l/wheel 2021-04-25T19:35:55,845 running install 2021-04-25T19:35:55,847 running install_lib 2021-04-25T19:35:55,853 creating build/bdist.linux-armv7l 2021-04-25T19:35:55,854 creating build/bdist.linux-armv7l/wheel 2021-04-25T19:35:55,858 creating build/bdist.linux-armv7l/wheel/pele_platform 2021-04-25T19:35:55,863 creating build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-04-25T19:35:55,864 copying build/lib/pele_platform/out_in/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-04-25T19:35:55,868 copying build/lib/pele_platform/out_in/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-04-25T19:35:55,871 copying build/lib/pele_platform/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-04-25T19:35:55,875 creating build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-04-25T19:35:55,876 copying build/lib/pele_platform/enzyme_engineering/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-04-25T19:35:55,881 copying build/lib/pele_platform/enzyme_engineering/saturated_mutagenesis.py -> build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-04-25T19:35:55,888 creating build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-25T19:35:55,891 copying build/lib/pele_platform/Frag/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-25T19:35:55,897 creating build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-04-25T19:35:55,899 copying build/lib/pele_platform/Frag/parameters/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-04-25T19:35:55,903 copying build/lib/pele_platform/Frag/parameters/files.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-04-25T19:35:55,907 copying build/lib/pele_platform/Frag/parameters/water.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-04-25T19:35:55,910 copying build/lib/pele_platform/Frag/parameters/optional.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-04-25T19:35:55,914 copying build/lib/pele_platform/Frag/parameters/metrics.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-04-25T19:35:55,917 copying build/lib/pele_platform/Frag/parameters/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-04-25T19:35:55,920 copying build/lib/pele_platform/Frag/checker.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-25T19:35:55,924 copying build/lib/pele_platform/Frag/analysis.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-25T19:35:55,928 copying build/lib/pele_platform/Frag/generative_model.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-25T19:35:55,932 copying build/lib/pele_platform/Frag/fragments.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-25T19:35:55,935 copying build/lib/pele_platform/Frag/helpers.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-25T19:35:55,938 copying build/lib/pele_platform/Frag/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-25T19:35:55,942 copying build/lib/pele_platform/Frag/libraries.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-25T19:35:55,947 copying build/lib/pele_platform/Frag/atoms.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-25T19:35:55,950 creating build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-25T19:35:55,952 copying build/lib/pele_platform/analysis/data.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-25T19:35:55,958 copying build/lib/pele_platform/analysis/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-25T19:35:55,961 copying build/lib/pele_platform/analysis/plot.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-25T19:35:55,965 copying build/lib/pele_platform/analysis/pdf_report.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-25T19:35:55,969 copying build/lib/pele_platform/analysis/analysis.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-25T19:35:55,976 copying build/lib/pele_platform/analysis/to_mae.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-25T19:35:55,980 copying build/lib/pele_platform/analysis/interactive_plot.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-25T19:35:55,986 copying build/lib/pele_platform/analysis/clustering.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-25T19:35:55,994 creating build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-04-25T19:35:55,996 copying build/lib/pele_platform/Checker/valid_flags.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-04-25T19:35:56,002 copying build/lib/pele_platform/Checker/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-04-25T19:35:56,004 copying build/lib/pele_platform/Checker/environment_variables.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-04-25T19:35:56,007 copying build/lib/pele_platform/Checker/executable.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-04-25T19:35:56,010 copying build/lib/pele_platform/Checker/python_version.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-04-25T19:35:56,014 copying build/lib/pele_platform/Checker/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-04-25T19:35:56,018 creating build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-04-25T19:35:56,019 copying build/lib/pele_platform/site_finder/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-04-25T19:35:56,024 copying build/lib/pele_platform/site_finder/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-04-25T19:35:56,031 creating build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-04-25T19:35:56,033 copying build/lib/pele_platform/PPI/preparation.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-04-25T19:35:56,038 copying build/lib/pele_platform/PPI/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-04-25T19:35:56,041 copying build/lib/pele_platform/PPI/cluster.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-04-25T19:35:56,044 copying build/lib/pele_platform/PPI/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-04-25T19:35:56,047 copying build/lib/pele_platform/PPI/simulation_launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-04-25T19:35:56,051 creating build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-04-25T19:35:56,052 copying build/lib/pele_platform/constants/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-04-25T19:35:56,055 copying build/lib/pele_platform/constants/pele_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-04-25T19:35:56,059 copying build/lib/pele_platform/constants/constants.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-04-25T19:35:56,066 creating build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-04-25T19:35:56,068 copying build/lib/pele_platform/Templates/pele_template.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-04-25T19:35:56,073 copying build/lib/pele_platform/Templates/template_adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-04-25T19:35:56,079 copying build/lib/pele_platform/Templates/solventParamsHCTOBC.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-04-25T19:35:56,087 creating build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-04-25T19:35:56,088 copying build/lib/pele_platform/gpcr/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-04-25T19:35:56,092 copying build/lib/pele_platform/gpcr/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-04-25T19:35:56,097 creating build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-04-25T19:35:56,099 copying build/lib/pele_platform/Errors/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-04-25T19:35:56,102 copying build/lib/pele_platform/Errors/custom_errors.py -> build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-04-25T19:35:56,108 creating build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-25T19:35:56,110 copying build/lib/pele_platform/Adaptive/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-25T19:35:56,115 copying build/lib/pele_platform/Adaptive/pca.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-25T19:35:56,119 copying build/lib/pele_platform/Adaptive/interaction_restrictions.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-25T19:35:56,124 copying build/lib/pele_platform/Adaptive/box.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-25T19:35:56,128 copying build/lib/pele_platform/Adaptive/metrics.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-25T19:35:56,131 copying build/lib/pele_platform/Adaptive/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-25T19:35:56,136 copying build/lib/pele_platform/Adaptive/solvent.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-25T19:35:56,139 copying build/lib/pele_platform/Adaptive/ligand_parametrization.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-25T19:35:56,144 copying build/lib/pele_platform/main.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-04-25T19:35:56,148 creating build/bdist.linux-armv7l/wheel/pele_platform/features 2021-04-25T19:35:56,150 copying build/lib/pele_platform/features/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-04-25T19:35:56,154 copying build/lib/pele_platform/features/frag.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-04-25T19:35:56,157 copying build/lib/pele_platform/features/adaptive.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-04-25T19:35:56,163 creating build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-04-25T19:35:56,165 copying build/lib/pele_platform/RNA/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-04-25T19:35:56,168 copying build/lib/pele_platform/RNA/prep.py -> build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-04-25T19:35:56,174 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples 2021-04-25T19:35:56,178 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,180 copying build/lib/pele_platform/Examples/constraints/input_square_planar.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,185 copying build/lib/pele_platform/Examples/constraints/input_tetrahedral.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,189 copying build/lib/pele_platform/Examples/constraints/input_constrain_smiles.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,192 copying build/lib/pele_platform/Examples/constraints/input_metals.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,196 copying build/lib/pele_platform/Examples/constraints/ca_constraints.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,228 copying build/lib/pele_platform/Examples/constraints/input_square_planar_polarisation.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,233 copying build/lib/pele_platform/Examples/constraints/input_ignore.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,238 copying build/lib/pele_platform/Examples/constraints/input_all_metal_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,243 copying build/lib/pele_platform/Examples/constraints/input_no_metal_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,246 copying build/lib/pele_platform/Examples/constraints/input_permissive_exception.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,250 copying build/lib/pele_platform/Examples/constraints/4zu9_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,301 copying build/lib/pele_platform/Examples/constraints/input_smiles_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,305 copying build/lib/pele_platform/Examples/constraints/4w4o_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,322 copying build/lib/pele_platform/Examples/constraints/fail_input_permissive_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,326 copying build/lib/pele_platform/Examples/constraints/complex_smiles_error.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,349 copying build/lib/pele_platform/Examples/constraints/4l3a_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,487 copying build/lib/pele_platform/Examples/constraints/input_k.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,492 copying build/lib/pele_platform/Examples/constraints/input_ca_noppp.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,497 copying build/lib/pele_platform/Examples/constraints/4w5i_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,518 copying build/lib/pele_platform/Examples/constraints/pass_input_permissive_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,521 copying build/lib/pele_platform/Examples/constraints/input_constrain_smarts.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,524 copying build/lib/pele_platform/Examples/constraints/4qnr_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,549 copying build/lib/pele_platform/Examples/constraints/input_ca_ppp.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,552 copying build/lib/pele_platform/Examples/constraints/1zop.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,570 copying build/lib/pele_platform/Examples/constraints/input_external_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-25T19:35:56,576 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-04-25T19:35:56,578 copying build/lib/pele_platform/Examples/out_in/input_default.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-04-25T19:35:56,581 copying build/lib/pele_platform/Examples/out_in/1_3ZON_complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-04-25T19:35:56,600 copying build/lib/pele_platform/Examples/out_in/input_flag_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-04-25T19:35:56,604 copying build/lib/pele_platform/Examples/out_in/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-04-25T19:35:56,608 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-04-25T19:35:56,609 copying build/lib/pele_platform/Examples/enzyme_engineering/restart_saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-04-25T19:35:56,614 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-04-25T19:35:56,616 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-04-25T19:35:56,618 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 2021-04-25T19:35:56,621 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 2021-04-25T19:35:56,624 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 2021-04-25T19:35:56,628 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-04-25T19:35:56,629 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 2021-04-25T19:35:56,658 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 2021-04-25T19:35:56,662 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 2021-04-25T19:35:56,691 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 2021-04-25T19:35:56,721 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 2021-04-25T19:35:56,727 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-04-25T19:35:56,731 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-04-25T19:35:56,735 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-04-25T19:35:56,739 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-04-25T19:35:56,741 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 2021-04-25T19:35:56,744 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 2021-04-25T19:35:56,747 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 2021-04-25T19:35:56,751 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-04-25T19:35:56,753 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 2021-04-25T19:35:56,784 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 2021-04-25T19:35:56,839 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 2021-04-25T19:35:56,874 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-04-25T19:35:56,875 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 2021-04-25T19:35:56,879 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 2021-04-25T19:35:56,883 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-04-25T19:35:56,885 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 2021-04-25T19:35:56,939 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 2021-04-25T19:35:56,943 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 2021-04-25T19:35:57,087 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 2021-04-25T19:35:57,094 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-04-25T19:35:57,096 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 2021-04-25T19:35:57,154 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 2021-04-25T19:35:57,208 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 2021-04-25T19:35:57,212 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 2021-04-25T19:35:57,216 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 2021-04-25T19:35:57,220 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 2021-04-25T19:35:57,225 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal 2021-04-25T19:35:57,228 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates 2021-04-25T19:35:57,231 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005 2021-04-25T19:35:57,234 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-04-25T19:35:57,236 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 2021-04-25T19:35:57,241 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-04-25T19:35:57,242 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 2021-04-25T19:35:57,248 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 2021-04-25T19:35:57,255 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-04-25T19:35:57,257 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 2021-04-25T19:35:57,291 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 2021-04-25T19:35:57,296 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 2021-04-25T19:35:57,328 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 2021-04-25T19:35:57,360 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 2021-04-25T19:35:57,399 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 2021-04-25T19:35:57,557 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 2021-04-25T19:35:57,564 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-04-25T19:35:57,566 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 2021-04-25T19:35:57,598 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 2021-04-25T19:35:57,627 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 2021-04-25T19:35:57,631 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 2021-04-25T19:35:57,634 copying build/lib/pele_platform/Examples/enzyme_engineering/saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-04-25T19:35:57,637 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-04-25T19:35:57,639 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454D.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-04-25T19:35:57,668 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454E.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-04-25T19:35:57,696 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454A.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-04-25T19:35:57,726 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-04-25T19:35:57,727 copying build/lib/pele_platform/Examples/bias/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-04-25T19:35:57,745 copying build/lib/pele_platform/Examples/bias/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-04-25T19:35:57,749 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering 2021-04-25T19:35:57,751 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-25T19:35:57,755 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-04-25T19:35:57,757 copying build/lib/pele_platform/Examples/clustering/0/clustering/object.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-04-25T19:35:57,878 copying build/lib/pele_platform/Examples/clustering/0/clustering/summary.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-04-25T19:35:57,882 copying build/lib/pele_platform/Examples/clustering/0/trajectory_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-25T19:35:57,916 copying build/lib/pele_platform/Examples/clustering/0/trajectory_4.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-25T19:35:57,950 copying build/lib/pele_platform/Examples/clustering/0/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-25T19:35:57,953 copying build/lib/pele_platform/Examples/clustering/0/trajectory_3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-25T19:35:57,987 copying build/lib/pele_platform/Examples/clustering/0/topologyMapping.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-25T19:35:57,990 copying build/lib/pele_platform/Examples/clustering/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-25T19:35:57,993 copying build/lib/pele_platform/Examples/clustering/0/trajectory_2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-25T19:35:58,014 copying build/lib/pele_platform/Examples/clustering/0/report_3 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-25T19:35:58,018 copying build/lib/pele_platform/Examples/clustering/0/report_4 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-25T19:35:58,023 copying build/lib/pele_platform/Examples/clustering/summary.csv -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering 2021-04-25T19:35:58,027 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-04-25T19:35:58,028 copying build/lib/pele_platform/Examples/analysis/input_xtc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-04-25T19:35:58,032 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-25T19:35:58,034 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output 2021-04-25T19:35:58,037 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-04-25T19:35:58,039 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0/clustering 2021-04-25T19:35:58,041 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 2021-04-25T19:35:58,060 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 2021-04-25T19:35:58,062 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 2021-04-25T19:35:58,081 copying build/lib/pele_platform/Examples/analysis/data/output/0/topologyMapping.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-04-25T19:35:58,085 copying build/lib/pele_platform/Examples/analysis/data/output/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-04-25T19:35:58,091 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/topologies 2021-04-25T19:35:58,093 copying build/lib/pele_platform/Examples/analysis/data/output/topologies/topologies.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/topologies 2021-04-25T19:35:58,113 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 2021-04-25T19:35:58,133 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/synchronization 2021-04-25T19:35:58,135 copying build/lib/pele_platform/Examples/analysis/data/output/synchronization/syncFile.lock -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/synchronization 2021-04-25T19:35:58,139 copying build/lib/pele_platform/Examples/analysis/data/output/originalControlFile.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output 2021-04-25T19:35:58,143 copying build/lib/pele_platform/Examples/analysis/data/pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-25T19:35:58,149 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc 2021-04-25T19:35:58,152 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-04-25T19:35:58,155 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-04-25T19:35:58,159 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-04-25T19:35:58,163 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 2021-04-25T19:35:58,167 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 2021-04-25T19:35:58,173 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/topologies 2021-04-25T19:35:58,175 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 2021-04-25T19:35:58,186 copying build/lib/pele_platform/Examples/analysis/data/xtc/summary.csv -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc 2021-04-25T19:35:58,193 copying build/lib/pele_platform/Examples/analysis/data/mgz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-25T19:35:58,198 copying build/lib/pele_platform/Examples/analysis/data/STR.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-25T19:35:58,204 copying build/lib/pele_platform/Examples/analysis/data/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-25T19:35:58,208 copying build/lib/pele_platform/Examples/analysis/data/MG.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-25T19:35:58,210 copying build/lib/pele_platform/Examples/analysis/data/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-25T19:35:58,215 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-04-25T19:35:58,216 copying build/lib/pele_platform/Examples/analysis/data/inputs/input2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-04-25T19:35:58,238 copying build/lib/pele_platform/Examples/analysis/data/inputs/input3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-04-25T19:35:58,260 copying build/lib/pele_platform/Examples/analysis/data/inputs/input1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-04-25T19:35:58,279 copying build/lib/pele_platform/Examples/analysis/data/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-25T19:35:58,282 copying build/lib/pele_platform/Examples/analysis/data/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-25T19:35:58,285 copying build/lib/pele_platform/Examples/analysis/data/strz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-25T19:35:58,288 copying build/lib/pele_platform/Examples/analysis/data/input_flags0.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-25T19:35:58,291 copying build/lib/pele_platform/Examples/analysis/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-04-25T19:35:58,294 copying build/lib/pele_platform/Examples/analysis/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-04-25T19:35:58,297 copying build/lib/pele_platform/Examples/analysis/input_flags0.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-04-25T19:35:58,300 copying build/lib/pele_platform/Examples/test.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples 2021-04-25T19:35:58,305 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-04-25T19:35:58,306 copying build/lib/pele_platform/Examples/exit/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-04-25T19:35:58,310 copying build/lib/pele_platform/Examples/exit/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-04-25T19:35:58,314 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-04-25T19:35:58,315 copying build/lib/pele_platform/Examples/site_finder/input_restart.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-04-25T19:35:58,319 copying build/lib/pele_platform/Examples/site_finder/input_global.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-04-25T19:35:58,321 copying build/lib/pele_platform/Examples/site_finder/input_skipref.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-04-25T19:35:58,324 copying build/lib/pele_platform/Examples/site_finder/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-04-25T19:35:58,347 copying build/lib/pele_platform/Examples/site_finder/input_global_xtc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-04-25T19:35:58,350 copying build/lib/pele_platform/Examples/site_finder/input_folder.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-04-25T19:35:58,354 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-04-25T19:35:58,356 copying build/lib/pele_platform/Examples/PPI/1tnf_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-04-25T19:35:58,361 copying build/lib/pele_platform/Examples/PPI/1tnf_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-04-25T19:35:58,391 copying build/lib/pele_platform/Examples/PPI/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-04-25T19:35:58,395 copying build/lib/pele_platform/Examples/PPI/input_skipref.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-04-25T19:35:58,399 copying build/lib/pele_platform/Examples/PPI/1f47_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-04-25T19:35:58,410 copying build/lib/pele_platform/Examples/PPI/1f47_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-04-25T19:35:58,415 copying build/lib/pele_platform/Examples/PPI/input_folder.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-04-25T19:35:58,418 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/box 2021-04-25T19:35:58,420 copying build/lib/pele_platform/Examples/box/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/box 2021-04-25T19:35:58,424 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials 2021-04-25T19:35:58,427 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-04-25T19:35:58,428 copying build/lib/pele_platform/Examples/tutorials/ppi/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-04-25T19:35:58,431 copying build/lib/pele_platform/Examples/tutorials/ppi/4yy6_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-04-25T19:35:58,443 copying build/lib/pele_platform/Examples/tutorials/ppi/4yy6_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-04-25T19:35:58,447 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-04-25T19:35:58,449 copying build/lib/pele_platform/Examples/tutorials/gpcr/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-04-25T19:35:58,452 copying build/lib/pele_platform/Examples/tutorials/gpcr/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-04-25T19:35:58,473 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-04-25T19:35:58,475 copying build/lib/pele_platform/Examples/tutorials/induced_fit/docking.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-04-25T19:35:58,506 copying build/lib/pele_platform/Examples/tutorials/induced_fit/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-04-25T19:35:58,510 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/singularity 2021-04-25T19:35:58,511 copying build/lib/pele_platform/Examples/singularity/input_adaptive.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/singularity 2021-04-25T19:35:58,515 copying build/lib/pele_platform/Examples/singularity/input_frag.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/singularity 2021-04-25T19:35:58,519 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-04-25T19:35:58,520 copying build/lib/pele_platform/Examples/interaction_restrictions/input_error_2.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-04-25T19:35:58,524 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-04-25T19:35:58,526 copying build/lib/pele_platform/Examples/interaction_restrictions/out/expected_conditions.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-04-25T19:35:58,529 copying build/lib/pele_platform/Examples/interaction_restrictions/out/expected_metrics.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-04-25T19:35:58,532 copying build/lib/pele_platform/Examples/interaction_restrictions/input_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-04-25T19:35:58,535 copying build/lib/pele_platform/Examples/interaction_restrictions/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-04-25T19:35:58,538 copying build/lib/pele_platform/Examples/interaction_restrictions/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-04-25T19:35:58,570 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-04-25T19:35:58,571 copying build/lib/pele_platform/Examples/pca/input_str.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-04-25T19:35:58,575 copying build/lib/pele_platform/Examples/pca/2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-04-25T19:35:58,594 copying build/lib/pele_platform/Examples/pca/1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-04-25T19:35:58,614 copying build/lib/pele_platform/Examples/pca/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-04-25T19:35:58,617 copying build/lib/pele_platform/Examples/pca/3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-04-25T19:35:58,638 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-04-25T19:35:58,639 copying build/lib/pele_platform/Examples/rescoring/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-04-25T19:35:58,642 copying build/lib/pele_platform/Examples/rescoring/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-04-25T19:35:58,646 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-04-25T19:35:58,647 copying build/lib/pele_platform/Examples/gpcr/input_defaults2.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-04-25T19:35:58,651 copying build/lib/pele_platform/Examples/gpcr/complex_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-04-25T19:35:58,671 copying build/lib/pele_platform/Examples/gpcr/input_atom_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-04-25T19:35:58,674 copying build/lib/pele_platform/Examples/gpcr/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-04-25T19:35:58,676 copying build/lib/pele_platform/Examples/gpcr/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-04-25T19:35:58,697 copying build/lib/pele_platform/Examples/gpcr/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-04-25T19:35:58,701 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-04-25T19:35:58,702 copying build/lib/pele_platform/Examples/Adaptive/test.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-04-25T19:35:58,705 copying build/lib/pele_platform/Examples/Adaptive/STR.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-04-25T19:35:58,708 copying build/lib/pele_platform/Examples/Adaptive/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-04-25T19:35:58,711 copying build/lib/pele_platform/Examples/Adaptive/strz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-04-25T19:35:58,716 copying build/lib/pele_platform/Examples/Adaptive/pele_file_4Adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-04-25T19:35:58,721 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-04-25T19:35:58,723 copying build/lib/pele_platform/Examples/exit_soft/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-04-25T19:35:58,727 copying build/lib/pele_platform/Examples/exit_soft/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-04-25T19:35:58,731 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-04-25T19:35:58,732 copying build/lib/pele_platform/Examples/production/input.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-04-25T19:35:58,736 copying build/lib/pele_platform/Examples/production/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-04-25T19:35:58,740 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-04-25T19:35:58,741 copying build/lib/pele_platform/Examples/RNA/5C45_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-04-25T19:35:58,762 copying build/lib/pele_platform/Examples/RNA/2l94.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-04-25T19:35:58,765 copying build/lib/pele_platform/Examples/RNA/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-04-25T19:35:58,769 copying build/lib/pele_platform/Examples/RNA/input_induced.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-04-25T19:35:58,773 copying build/lib/pele_platform/Examples/RNA/5C45_prep_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-04-25T19:35:58,798 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,800 copying build/lib/pele_platform/Examples/checker/mapping_complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,832 copying build/lib/pele_platform/Examples/checker/complex_unk.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,863 copying build/lib/pele_platform/Examples/checker/complex2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,876 copying build/lib/pele_platform/Examples/checker/input_pele_exec.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,878 copying build/lib/pele_platform/Examples/checker/input_map_atom_str.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,882 copying build/lib/pele_platform/Examples/checker/input_tab.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,885 copying build/lib/pele_platform/Examples/checker/input_atom_string.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,888 copying build/lib/pele_platform/Examples/checker/input_underscore.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,891 copying build/lib/pele_platform/Examples/checker/input_template.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,894 copying build/lib/pele_platform/Examples/checker/input_space.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,897 copying build/lib/pele_platform/Examples/checker/ligand2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,901 copying build/lib/pele_platform/Examples/checker/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,904 copying build/lib/pele_platform/Examples/checker/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,927 copying build/lib/pele_platform/Examples/checker/input_rotamer.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,930 copying build/lib/pele_platform/Examples/checker/input_map_atom_num.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,933 copying build/lib/pele_platform/Examples/checker/input_unk.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,937 copying build/lib/pele_platform/Examples/checker/input_env.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-25T19:35:58,941 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-04-25T19:35:58,942 copying build/lib/pele_platform/Examples/preparation/6qmk_repeated.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-04-25T19:35:58,968 copying build/lib/pele_platform/Examples/preparation/input_space.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-04-25T19:35:58,971 copying build/lib/pele_platform/Examples/preparation/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-04-25T19:35:58,975 copying build/lib/pele_platform/Examples/preparation/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-04-25T19:35:58,996 copying build/lib/pele_platform/Examples/preparation/6qmk_correct.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-04-25T19:35:59,021 copying build/lib/pele_platform/Examples/preparation/input_nonstandard.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-04-25T19:35:59,026 copying build/lib/pele_platform/Examples/preparation/complex_2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-04-25T19:35:59,058 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-04-25T19:35:59,060 copying build/lib/pele_platform/Examples/inputs/mn4.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-04-25T19:35:59,063 copying build/lib/pele_platform/Examples/inputs/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-04-25T19:35:59,067 copying build/lib/pele_platform/Examples/inputs/nord3.sge -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-04-25T19:35:59,071 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/flags 2021-04-25T19:35:59,072 copying build/lib/pele_platform/Examples/flags/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/flags 2021-04-25T19:35:59,079 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-04-25T19:35:59,082 copying build/lib/pele_platform/Examples/Msm/PR_AS4.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-04-25T19:35:59,104 copying build/lib/pele_platform/Examples/Msm/PR_1A28_xray_-_minimized.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-04-25T19:35:59,123 copying build/lib/pele_platform/Examples/Msm/PR_1A28_protein.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-04-25T19:35:59,257 copying build/lib/pele_platform/Examples/Msm/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-04-25T19:35:59,264 copying build/lib/pele_platform/Examples/Msm/AS4_INIT.mae -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-04-25T19:35:59,272 copying build/lib/pele_platform/Examples/Msm/PR_1A28_xray_-_minimized_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-04-25T19:35:59,296 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-04-25T19:35:59,298 copying build/lib/pele_platform/Examples/global/input_inputs_asterisc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-04-25T19:35:59,303 copying build/lib/pele_platform/Examples/global/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-04-25T19:35:59,307 copying build/lib/pele_platform/Examples/global/input_inputs.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-04-25T19:35:59,311 copying build/lib/pele_platform/Examples/global/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-04-25T19:35:59,316 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-25T19:35:59,318 copying build/lib/pele_platform/Examples/water/complex_ref_LESSH2O.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-25T19:35:59,341 copying build/lib/pele_platform/Examples/water/input_lig.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-25T19:35:59,345 copying build/lib/pele_platform/Examples/water/input_previous_water.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-25T19:35:59,352 copying build/lib/pele_platform/Examples/water/input_bs_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-25T19:35:59,358 copying build/lib/pele_platform/Examples/water/water_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-25T19:35:59,386 copying build/lib/pele_platform/Examples/water/input_lig_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-25T19:35:59,390 copying build/lib/pele_platform/Examples/water/input_nwaters.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-25T19:35:59,394 copying build/lib/pele_platform/Examples/water/input_all.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-25T19:35:59,398 copying build/lib/pele_platform/Examples/water/input_induced.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-25T19:35:59,401 copying build/lib/pele_platform/Examples/water/input_bs.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-25T19:35:59,405 copying build/lib/pele_platform/Examples/water/complex_induced.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-25T19:35:59,416 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-25T19:35:59,419 copying build/lib/pele_platform/Examples/frag/input_core_sdf.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-25T19:35:59,423 copying build/lib/pele_platform/Examples/frag/input_core.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-25T19:35:59,427 copying build/lib/pele_platform/Examples/frag/input_ai.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-25T19:35:59,432 copying build/lib/pele_platform/Examples/frag/flags.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-25T19:35:59,437 copying build/lib/pele_platform/Examples/frag/sequential.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-25T19:35:59,444 copying build/lib/pele_platform/Examples/frag/input_lib_pdb.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-25T19:35:59,450 copying build/lib/pele_platform/Examples/frag/1w7h_preparation_structure_2w.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-25T19:35:59,475 copying build/lib/pele_platform/Examples/frag/input_point_analysis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-25T19:35:59,480 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_test_lib 2021-04-25T19:35:59,482 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 2021-04-25T19:35:59,487 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-04-25T19:35:59,490 copying build/lib/pele_platform/Examples/frag/pdb_test_lib/mol1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-04-25T19:35:59,494 copying build/lib/pele_platform/Examples/frag/pdb_test_lib/mol2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-04-25T19:35:59,499 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-04-25T19:35:59,501 copying build/lib/pele_platform/Examples/frag/checker/receptor.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-04-25T19:35:59,518 copying build/lib/pele_platform/Examples/frag/checker/4RFM_series.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-04-25T19:35:59,523 copying build/lib/pele_platform/Examples/frag/checker/4RFM_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-04-25T19:35:59,527 copying build/lib/pele_platform/Examples/frag/amino.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-25T19:35:59,532 copying build/lib/pele_platform/Examples/frag/ligands.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-25T19:35:59,539 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:59,543 copying build/lib/pele_platform/Examples/frag/sdf_joiner/core2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:59,567 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag3.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:59,575 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag2.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:59,580 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag4.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:59,585 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:59,590 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag5.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:59,594 copying build/lib/pele_platform/Examples/frag/sdf_joiner/13_serie.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:59,604 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag3.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:59,607 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag31.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:59,613 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_series.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:59,619 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag2.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:59,627 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:59,634 copying build/lib/pele_platform/Examples/frag/sdf_joiner/glide-dockSARS_core.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:59,671 copying build/lib/pele_platform/Examples/frag/sdf_joiner/core3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:59,679 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:59,703 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_core_sc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-25T19:35:59,729 copying build/lib/pele_platform/Examples/frag/1w7h_preparation_structure_2w_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-25T19:35:59,756 copying build/lib/pele_platform/Examples/frag/input_symmetry.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-25T19:35:59,759 copying build/lib/pele_platform/Examples/frag/input_sim.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-25T19:35:59,762 copying build/lib/pele_platform/Examples/frag/input_lib_sdf.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-25T19:35:59,765 copying build/lib/pele_platform/Examples/frag/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-25T19:35:59,768 copying build/lib/pele_platform/Examples/frag/core.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-25T19:35:59,772 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data 2021-04-25T19:35:59,774 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1 2021-04-25T19:35:59,776 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-04-25T19:35:59,778 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 2021-04-25T19:35:59,807 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 2021-04-25T19:35:59,831 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart 2021-04-25T19:35:59,832 copying build/lib/pele_platform/Examples/restart/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart 2021-04-25T19:35:59,836 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-04-25T19:35:59,837 copying build/lib/pele_platform/Examples/induced_fit/input_fast.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-04-25T19:35:59,842 copying build/lib/pele_platform/Examples/induced_fit/input_fast_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-04-25T19:35:59,847 copying build/lib/pele_platform/Examples/induced_fit/input_exhaustive.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-04-25T19:35:59,851 copying build/lib/pele_platform/Examples/induced_fit/input_exhaustive_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-04-25T19:35:59,856 copying build/lib/pele_platform/Examples/induced_fit/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-04-25T19:35:59,860 copying build/lib/pele_platform/_version.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-04-25T19:35:59,864 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities 2021-04-25T19:35:59,865 copying build/lib/pele_platform/Utilities/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities 2021-04-25T19:35:59,868 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-04-25T19:35:59,870 copying build/lib/pele_platform/Utilities/Parameters/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-04-25T19:35:59,874 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-04-25T19:35:59,876 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-04-25T19:35:59,878 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-04-25T19:35:59,880 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams/inout_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-04-25T19:35:59,883 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-04-25T19:35:59,887 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-04-25T19:35:59,888 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-04-25T19:35:59,891 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA/pca.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-04-25T19:35:59,895 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-04-25T19:35:59,896 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-04-25T19:35:59,899 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 2021-04-25T19:35:59,903 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-04-25T19:35:59,904 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-04-25T19:35:59,907 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI/ppi.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-04-25T19:35:59,910 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/simulation_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-04-25T19:35:59,915 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-04-25T19:35:59,916 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-04-25T19:35:59,919 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams/glide_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-04-25T19:35:59,923 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-04-25T19:35:59,924 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-04-25T19:35:59,927 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams/msm_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-04-25T19:35:59,930 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-04-25T19:35:59,932 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-04-25T19:35:59,934 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams/bias_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-04-25T19:35:59,938 copying build/lib/pele_platform/Utilities/Parameters/parameters.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-04-25T19:35:59,943 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-04-25T19:35:59,944 copying build/lib/pele_platform/Utilities/Parameters/SimulationFolders/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-04-25T19:35:59,947 copying build/lib/pele_platform/Utilities/Parameters/SimulationFolders/simulation_folders.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-04-25T19:35:59,951 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:35:59,953 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-04-25T19:35:59,955 copying build/lib/pele_platform/Utilities/Helpers/constraints/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-04-25T19:35:59,958 copying build/lib/pele_platform/Utilities/Helpers/constraints/alpha_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-04-25T19:35:59,963 copying build/lib/pele_platform/Utilities/Helpers/constraints/smiles_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-04-25T19:35:59,968 copying build/lib/pele_platform/Utilities/Helpers/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:35:59,973 copying build/lib/pele_platform/Utilities/Helpers/launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:35:59,978 copying build/lib/pele_platform/Utilities/Helpers/system_prep.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:35:59,983 copying build/lib/pele_platform/Utilities/Helpers/map_atoms.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:35:59,988 copying build/lib/pele_platform/Utilities/Helpers/solventOBCParamsGenerator.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:35:59,992 copying build/lib/pele_platform/Utilities/Helpers/conda_deployment.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:35:59,995 copying build/lib/pele_platform/Utilities/Helpers/water.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:35:59,999 copying build/lib/pele_platform/Utilities/Helpers/template_builder.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:36:00,002 copying build/lib/pele_platform/Utilities/Helpers/missing_residues.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:36:00,007 copying build/lib/pele_platform/Utilities/Helpers/helpers.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:36:00,013 copying build/lib/pele_platform/Utilities/Helpers/plop_launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:36:00,018 copying build/lib/pele_platform/Utilities/Helpers/bestStructs.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:36:00,023 copying build/lib/pele_platform/Utilities/Helpers/randomize.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:36:00,027 copying build/lib/pele_platform/Utilities/Helpers/interaction_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:36:00,031 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-04-25T19:36:00,032 copying build/lib/pele_platform/Utilities/Helpers/Metals/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-04-25T19:36:00,035 copying build/lib/pele_platform/Utilities/Helpers/Metals/metal_polarisation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-04-25T19:36:00,038 copying build/lib/pele_platform/Utilities/Helpers/Metals/metal_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-04-25T19:36:00,042 copying build/lib/pele_platform/Utilities/Helpers/yaml_parser.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:36:00,049 copying build/lib/pele_platform/Utilities/Helpers/calculatePCA4PELE.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:36:00,056 copying build/lib/pele_platform/Utilities/Helpers/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:36:00,061 copying build/lib/pele_platform/Utilities/Helpers/protein_wizard.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:36:00,065 copying build/lib/pele_platform/Utilities/Helpers/center_of_mass.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-25T19:36:00,067 running install_egg_info 2021-04-25T19:36:00,082 Copying pele_platform.egg-info to build/bdist.linux-armv7l/wheel/pele_platform-1.6.0b4-py3.5.egg-info 2021-04-25T19:36:00,102 running install_scripts 2021-04-25T19:36:00,313 creating build/bdist.linux-armv7l/wheel/pele_platform-1.6.0b4.dist-info/WHEEL 2021-04-25T19:36:12,862 Building wheel for pele-platform (setup.py): finished with status 'done' 2021-04-25T19:36:13,010 Created wheel for pele-platform: filename=pele_platform-1.6.0b4-py3-none-any.whl size=10239922 sha256=aef8869582a5860da64b5bcf629ee3e030c70dc783ce7834b7da2e3f4e32d47d 2021-04-25T19:36:13,010 Stored in directory: /tmp/pip-ephem-wheel-cache-rs817qm_/wheels/0a/53/73/bc6e9e90092bc7e1a88a933f3a99fe3f0e5b080bb332c08796 2021-04-25T19:36:13,199 Successfully built pele-platform 2021-04-25T19:36:16,340 Removed build tracker: '/tmp/pip-req-tracker-pdq1dev4'