2021-03-25T21:28:58,258 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 Please upgrade your Python as Python 3.5 is no longer maintained.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. 2021-03-25T21:28:58,938 Created temporary directory: /tmp/pip-ephem-wheel-cache-xw1deg_i 2021-03-25T21:28:58,943 Created temporary directory: /tmp/pip-req-tracker-5mby2lrh 2021-03-25T21:28:58,944 Initialized build tracking at /tmp/pip-req-tracker-5mby2lrh 2021-03-25T21:28:58,944 Created build tracker: /tmp/pip-req-tracker-5mby2lrh 2021-03-25T21:28:58,945 Entered build tracker: /tmp/pip-req-tracker-5mby2lrh 2021-03-25T21:28:58,946 Created temporary directory: /tmp/pip-wheel-lzoulvvm 2021-03-25T21:28:59,009 1 location(s) to search for versions of pele-platform: 2021-03-25T21:28:59,009 * https://pypi.org/simple/pele-platform/ 2021-03-25T21:28:59,010 Fetching project page and analyzing links: https://pypi.org/simple/pele-platform/ 2021-03-25T21:28:59,012 Getting page https://pypi.org/simple/pele-platform/ 2021-03-25T21:28:59,016 Found index url https://pypi.org/simple 2021-03-25T21:28:59,360 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 2021-03-25T21:28:59,361 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 2021-03-25T21:28:59,362 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 2021-03-25T21:28:59,363 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 2021-03-25T21:28:59,364 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 2021-03-25T21:28:59,365 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 2021-03-25T21:28:59,365 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 2021-03-25T21:28:59,366 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 2021-03-25T21:28:59,367 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 2021-03-25T21:28:59,368 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 2021-03-25T21:28:59,369 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 2021-03-25T21:28:59,370 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 2021-03-25T21:28:59,371 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 2021-03-25T21:28:59,372 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 2021-03-25T21:28:59,373 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 2021-03-25T21:28:59,374 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 2021-03-25T21:28:59,375 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 2021-03-25T21:28:59,376 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 2021-03-25T21:28:59,377 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 2021-03-25T21:28:59,378 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 2021-03-25T21:28:59,379 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 2021-03-25T21:28:59,380 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 2021-03-25T21:28:59,419 Given no hashes to check 1 links for project 'pele-platform': discarding no candidates 2021-03-25T21:28:59,453 Collecting pele-platform==1.6.0b2 2021-03-25T21:28:59,456 Created temporary directory: /tmp/pip-unpack-5ell86tq 2021-03-25T21:28:59,944 Downloading pele_platform-1.6.0b2.tar.gz (10.0 MB) 2021-03-25T21:29:13,534 Added pele-platform==1.6.0b2 from https://files.pythonhosted.org/packages/c0/d6/f49f102325943cd3a82086e4740dfabd416c278d21ef9f3097fc1bb0ba7a/pele_platform-1.6.0b2.tar.gz#sha256=6bf2be383e50f6654f49f87e44dfc548f2aa1f5f002b25089ae2089ab0a92654 to build tracker '/tmp/pip-req-tracker-5mby2lrh' 2021-03-25T21:29:13,536 Running setup.py (path:/tmp/pip-wheel-lzoulvvm/pele-platform_a36ecbf235dd439f9322967022988faa/setup.py) egg_info for package pele-platform 2021-03-25T21:29:13,538 Created temporary directory: /tmp/pip-pip-egg-info-8racppfa 2021-03-25T21:29:13,539 Running command python setup.py egg_info 2021-03-25T21:29:16,284 running egg_info 2021-03-25T21:29:16,291 creating /tmp/pip-pip-egg-info-8racppfa/pele_platform.egg-info 2021-03-25T21:29:16,293 writing top-level names to /tmp/pip-pip-egg-info-8racppfa/pele_platform.egg-info/top_level.txt 2021-03-25T21:29:16,298 writing requirements to /tmp/pip-pip-egg-info-8racppfa/pele_platform.egg-info/requires.txt 2021-03-25T21:29:16,301 writing /tmp/pip-pip-egg-info-8racppfa/pele_platform.egg-info/PKG-INFO 2021-03-25T21:29:16,306 writing dependency_links to /tmp/pip-pip-egg-info-8racppfa/pele_platform.egg-info/dependency_links.txt 2021-03-25T21:29:16,310 writing manifest file '/tmp/pip-pip-egg-info-8racppfa/pele_platform.egg-info/SOURCES.txt' 2021-03-25T21:29:16,361 reading manifest file '/tmp/pip-pip-egg-info-8racppfa/pele_platform.egg-info/SOURCES.txt' 2021-03-25T21:29:16,364 reading manifest template 'MANIFEST.in' 2021-03-25T21:29:16,368 warning: no files found matching 'pele_platform/Utilities/PlopRotTemp/param/*' 2021-03-25T21:29:16,369 warning: no files found matching 'pele_platform/AdaptivePELE/atomset/*' 2021-03-25T21:29:16,370 warning: no files found matching 'pele_platform/AdaptivePELE/freeEnergies/*' 2021-03-25T21:29:16,370 warning: no files found matching '*' under directory 'pele_platform/Utilities/PPP/Data/' 2021-03-25T21:29:16,810 warning: no files found matching '*' under directory 'tests/data' 2021-03-25T21:29:16,852 writing manifest file '/tmp/pip-pip-egg-info-8racppfa/pele_platform.egg-info/SOURCES.txt' 2021-03-25T21:29:16,993 Source in /tmp/pip-wheel-lzoulvvm/pele-platform_a36ecbf235dd439f9322967022988faa has version 1.6.0b2, which satisfies requirement pele-platform==1.6.0b2 from https://files.pythonhosted.org/packages/c0/d6/f49f102325943cd3a82086e4740dfabd416c278d21ef9f3097fc1bb0ba7a/pele_platform-1.6.0b2.tar.gz#sha256=6bf2be383e50f6654f49f87e44dfc548f2aa1f5f002b25089ae2089ab0a92654 2021-03-25T21:29:16,995 Removed pele-platform==1.6.0b2 from https://files.pythonhosted.org/packages/c0/d6/f49f102325943cd3a82086e4740dfabd416c278d21ef9f3097fc1bb0ba7a/pele_platform-1.6.0b2.tar.gz#sha256=6bf2be383e50f6654f49f87e44dfc548f2aa1f5f002b25089ae2089ab0a92654 from build tracker '/tmp/pip-req-tracker-5mby2lrh' 2021-03-25T21:29:17,008 Created temporary directory: /tmp/pip-unpack-3j7p5b69 2021-03-25T21:29:17,010 Building wheels for collected packages: pele-platform 2021-03-25T21:29:17,021 Created temporary directory: /tmp/pip-wheel-i5dvnbvk 2021-03-25T21:29:17,022 Building wheel for pele-platform (setup.py): started 2021-03-25T21:29:17,023 Destination directory: /tmp/pip-wheel-i5dvnbvk 2021-03-25T21:29:17,023 Running command /usr/bin/python3 -u -c 'import sys, setuptools, tokenize; sys.argv[0] = '"'"'/tmp/pip-wheel-lzoulvvm/pele-platform_a36ecbf235dd439f9322967022988faa/setup.py'"'"'; __file__='"'"'/tmp/pip-wheel-lzoulvvm/pele-platform_a36ecbf235dd439f9322967022988faa/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-i5dvnbvk 2021-03-25T21:29:19,708 running bdist_wheel 2021-03-25T21:29:19,718 running build 2021-03-25T21:29:19,719 running build_py 2021-03-25T21:29:19,731 creating build 2021-03-25T21:29:19,731 creating build/lib 2021-03-25T21:29:19,733 creating build/lib/pele_platform 2021-03-25T21:29:19,736 copying pele_platform/_version.py -> build/lib/pele_platform 2021-03-25T21:29:19,740 copying pele_platform/__init__.py -> build/lib/pele_platform 2021-03-25T21:29:19,744 copying pele_platform/main.py -> build/lib/pele_platform 2021-03-25T21:29:19,750 creating build/lib/pele_platform/Adaptive 2021-03-25T21:29:19,752 copying pele_platform/Adaptive/pca.py -> build/lib/pele_platform/Adaptive 2021-03-25T21:29:19,757 copying pele_platform/Adaptive/__init__.py -> build/lib/pele_platform/Adaptive 2021-03-25T21:29:19,760 copying pele_platform/Adaptive/solvent.py -> build/lib/pele_platform/Adaptive 2021-03-25T21:29:19,765 copying pele_platform/Adaptive/ligand_parametrization.py -> build/lib/pele_platform/Adaptive 2021-03-25T21:29:19,771 copying pele_platform/Adaptive/metrics.py -> build/lib/pele_platform/Adaptive 2021-03-25T21:29:19,776 copying pele_platform/Adaptive/simulation.py -> build/lib/pele_platform/Adaptive 2021-03-25T21:29:19,784 copying pele_platform/Adaptive/box.py -> build/lib/pele_platform/Adaptive 2021-03-25T21:29:19,789 copying pele_platform/Adaptive/interaction_restrictions.py -> build/lib/pele_platform/Adaptive 2021-03-25T21:29:19,797 creating build/lib/pele_platform/out_in 2021-03-25T21:29:19,800 copying pele_platform/out_in/__init__.py -> build/lib/pele_platform/out_in 2021-03-25T21:29:19,805 copying pele_platform/out_in/main.py -> build/lib/pele_platform/out_in 2021-03-25T21:29:19,809 creating build/lib/pele_platform/Utilities 2021-03-25T21:29:19,811 copying pele_platform/Utilities/__init__.py -> build/lib/pele_platform/Utilities 2021-03-25T21:29:19,816 creating build/lib/pele_platform/RNA 2021-03-25T21:29:19,818 copying pele_platform/RNA/prep.py -> build/lib/pele_platform/RNA 2021-03-25T21:29:19,823 copying pele_platform/RNA/__init__.py -> build/lib/pele_platform/RNA 2021-03-25T21:29:19,830 creating build/lib/pele_platform/Errors 2021-03-25T21:29:19,832 copying pele_platform/Errors/__init__.py -> build/lib/pele_platform/Errors 2021-03-25T21:29:19,837 copying pele_platform/Errors/custom_errors.py -> build/lib/pele_platform/Errors 2021-03-25T21:29:19,845 creating build/lib/pele_platform/Frag 2021-03-25T21:29:19,848 copying pele_platform/Frag/atoms.py -> build/lib/pele_platform/Frag 2021-03-25T21:29:19,852 copying pele_platform/Frag/__init__.py -> build/lib/pele_platform/Frag 2021-03-25T21:29:19,856 copying pele_platform/Frag/fragments.py -> build/lib/pele_platform/Frag 2021-03-25T21:29:19,860 copying pele_platform/Frag/libraries.py -> build/lib/pele_platform/Frag 2021-03-25T21:29:19,867 copying pele_platform/Frag/helpers.py -> build/lib/pele_platform/Frag 2021-03-25T21:29:19,874 copying pele_platform/Frag/checker.py -> build/lib/pele_platform/Frag 2021-03-25T21:29:19,880 copying pele_platform/Frag/simulation.py -> build/lib/pele_platform/Frag 2021-03-25T21:29:19,887 copying pele_platform/Frag/analysis.py -> build/lib/pele_platform/Frag 2021-03-25T21:29:19,894 copying pele_platform/Frag/generative_model.py -> build/lib/pele_platform/Frag 2021-03-25T21:29:19,901 creating build/lib/pele_platform/site_finder 2021-03-25T21:29:19,903 copying pele_platform/site_finder/__init__.py -> build/lib/pele_platform/site_finder 2021-03-25T21:29:19,908 copying pele_platform/site_finder/main.py -> build/lib/pele_platform/site_finder 2021-03-25T21:29:19,914 creating build/lib/pele_platform/PPI 2021-03-25T21:29:19,916 copying pele_platform/PPI/preparation.py -> build/lib/pele_platform/PPI 2021-03-25T21:29:19,921 copying pele_platform/PPI/cluster.py -> build/lib/pele_platform/PPI 2021-03-25T21:29:19,926 copying pele_platform/PPI/simulation_launcher.py -> build/lib/pele_platform/PPI 2021-03-25T21:29:19,931 copying pele_platform/PPI/__init__.py -> build/lib/pele_platform/PPI 2021-03-25T21:29:19,936 copying pele_platform/PPI/main.py -> build/lib/pele_platform/PPI 2021-03-25T21:29:19,943 creating build/lib/pele_platform/gpcr 2021-03-25T21:29:19,946 copying pele_platform/gpcr/__init__.py -> build/lib/pele_platform/gpcr 2021-03-25T21:29:19,950 copying pele_platform/gpcr/main.py -> build/lib/pele_platform/gpcr 2021-03-25T21:29:19,956 creating build/lib/pele_platform/Checker 2021-03-25T21:29:19,957 copying pele_platform/Checker/environment_variables.py -> build/lib/pele_platform/Checker 2021-03-25T21:29:19,962 copying pele_platform/Checker/__init__.py -> build/lib/pele_platform/Checker 2021-03-25T21:29:19,965 copying pele_platform/Checker/executable.py -> build/lib/pele_platform/Checker 2021-03-25T21:29:19,970 copying pele_platform/Checker/main.py -> build/lib/pele_platform/Checker 2021-03-25T21:29:19,975 copying pele_platform/Checker/valid_flags.py -> build/lib/pele_platform/Checker 2021-03-25T21:29:19,981 copying pele_platform/Checker/python_version.py -> build/lib/pele_platform/Checker 2021-03-25T21:29:19,989 creating build/lib/pele_platform/analysis 2021-03-25T21:29:19,992 copying pele_platform/analysis/pdf_report.py -> build/lib/pele_platform/analysis 2021-03-25T21:29:19,996 copying pele_platform/analysis/__init__.py -> build/lib/pele_platform/analysis 2021-03-25T21:29:20,000 copying pele_platform/analysis/clustering.py -> build/lib/pele_platform/analysis 2021-03-25T21:29:20,006 copying pele_platform/analysis/plot.py -> build/lib/pele_platform/analysis 2021-03-25T21:29:20,013 copying pele_platform/analysis/interactive_plot.py -> build/lib/pele_platform/analysis 2021-03-25T21:29:20,022 copying pele_platform/analysis/data.py -> build/lib/pele_platform/analysis 2021-03-25T21:29:20,031 copying pele_platform/analysis/analysis.py -> build/lib/pele_platform/analysis 2021-03-25T21:29:20,042 copying pele_platform/analysis/to_mae.py -> build/lib/pele_platform/analysis 2021-03-25T21:29:20,049 creating build/lib/pele_platform/enzyme_engineering 2021-03-25T21:29:20,052 copying pele_platform/enzyme_engineering/saturated_mutagenesis.py -> build/lib/pele_platform/enzyme_engineering 2021-03-25T21:29:20,059 copying pele_platform/enzyme_engineering/__init__.py -> build/lib/pele_platform/enzyme_engineering 2021-03-25T21:29:20,065 creating build/lib/pele_platform/features 2021-03-25T21:29:20,068 copying pele_platform/features/__init__.py -> build/lib/pele_platform/features 2021-03-25T21:29:20,072 copying pele_platform/features/adaptive.py -> build/lib/pele_platform/features 2021-03-25T21:29:20,078 copying pele_platform/features/frag.py -> build/lib/pele_platform/features 2021-03-25T21:29:20,083 creating build/lib/pele_platform/constants 2021-03-25T21:29:20,085 copying pele_platform/constants/constants.py -> build/lib/pele_platform/constants 2021-03-25T21:29:20,091 copying pele_platform/constants/__init__.py -> build/lib/pele_platform/constants 2021-03-25T21:29:20,096 copying pele_platform/constants/pele_params.py -> build/lib/pele_platform/constants 2021-03-25T21:29:20,105 creating build/lib/pele_platform/Utilities/Parameters 2021-03-25T21:29:20,107 copying pele_platform/Utilities/Parameters/__init__.py -> build/lib/pele_platform/Utilities/Parameters 2021-03-25T21:29:20,113 copying pele_platform/Utilities/Parameters/parameters.py -> build/lib/pele_platform/Utilities/Parameters 2021-03-25T21:29:20,121 creating build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,124 copying pele_platform/Utilities/Helpers/template_builder.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,128 copying pele_platform/Utilities/Helpers/launcher.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,134 copying pele_platform/Utilities/Helpers/randomize.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,141 copying pele_platform/Utilities/Helpers/missing_residues.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,146 copying pele_platform/Utilities/Helpers/center_of_mass.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,153 copying pele_platform/Utilities/Helpers/protein_wizard.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,158 copying pele_platform/Utilities/Helpers/__init__.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,164 copying pele_platform/Utilities/Helpers/water.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,171 copying pele_platform/Utilities/Helpers/helpers.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,177 copying pele_platform/Utilities/Helpers/solventOBCParamsGenerator.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,183 copying pele_platform/Utilities/Helpers/conda_deployment.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,187 copying pele_platform/Utilities/Helpers/calculatePCA4PELE.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,194 copying pele_platform/Utilities/Helpers/yaml_parser.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,203 copying pele_platform/Utilities/Helpers/system_prep.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,211 copying pele_platform/Utilities/Helpers/map_atoms.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,218 copying pele_platform/Utilities/Helpers/interaction_constraints.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,223 copying pele_platform/Utilities/Helpers/bestStructs.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,229 copying pele_platform/Utilities/Helpers/simulation.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,236 copying pele_platform/Utilities/Helpers/plop_launcher.py -> build/lib/pele_platform/Utilities/Helpers 2021-03-25T21:29:20,245 creating build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-03-25T21:29:20,249 copying pele_platform/Utilities/Parameters/SimulationFolders/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-03-25T21:29:20,255 copying pele_platform/Utilities/Parameters/SimulationFolders/simulation_folders.py -> build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-03-25T21:29:20,261 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-03-25T21:29:20,264 copying pele_platform/Utilities/Parameters/SimulationParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-03-25T21:29:20,269 copying pele_platform/Utilities/Parameters/SimulationParams/simulation_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-03-25T21:29:20,277 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-03-25T21:29:20,280 copying pele_platform/Utilities/Parameters/SimulationParams/MSMParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-03-25T21:29:20,285 copying pele_platform/Utilities/Parameters/SimulationParams/MSMParams/msm_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-03-25T21:29:20,290 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-03-25T21:29:20,293 copying pele_platform/Utilities/Parameters/SimulationParams/GlideParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-03-25T21:29:20,298 copying pele_platform/Utilities/Parameters/SimulationParams/GlideParams/glide_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-03-25T21:29:20,304 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-03-25T21:29:20,307 copying pele_platform/Utilities/Parameters/SimulationParams/site_finder/site_finder.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-03-25T21:29:20,312 copying pele_platform/Utilities/Parameters/SimulationParams/site_finder/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-03-25T21:29:20,318 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-03-25T21:29:20,320 copying pele_platform/Utilities/Parameters/SimulationParams/PPI/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-03-25T21:29:20,325 copying pele_platform/Utilities/Parameters/SimulationParams/PPI/ppi.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-03-25T21:29:20,331 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-03-25T21:29:20,334 copying pele_platform/Utilities/Parameters/SimulationParams/BiasParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-03-25T21:29:20,339 copying pele_platform/Utilities/Parameters/SimulationParams/BiasParams/bias_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-03-25T21:29:20,344 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-03-25T21:29:20,348 copying pele_platform/Utilities/Parameters/SimulationParams/PCA/pca.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-03-25T21:29:20,353 copying pele_platform/Utilities/Parameters/SimulationParams/PCA/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-03-25T21:29:20,358 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-03-25T21:29:20,361 copying pele_platform/Utilities/Parameters/SimulationParams/InOutParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-03-25T21:29:20,366 copying pele_platform/Utilities/Parameters/SimulationParams/InOutParams/inout_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-03-25T21:29:20,372 creating build/lib/pele_platform/Utilities/Helpers/Metals 2021-03-25T21:29:20,374 copying pele_platform/Utilities/Helpers/Metals/__init__.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-03-25T21:29:20,379 copying pele_platform/Utilities/Helpers/Metals/metal_polarisation.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-03-25T21:29:20,385 copying pele_platform/Utilities/Helpers/Metals/metal_constraints.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-03-25T21:29:20,392 creating build/lib/pele_platform/Utilities/Helpers/constraints 2021-03-25T21:29:20,395 copying pele_platform/Utilities/Helpers/constraints/__init__.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-03-25T21:29:20,400 copying pele_platform/Utilities/Helpers/constraints/smiles_constraints.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-03-25T21:29:20,406 copying pele_platform/Utilities/Helpers/constraints/alpha_constraints.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-03-25T21:29:20,414 creating build/lib/pele_platform/Frag/parameters 2021-03-25T21:29:20,417 copying pele_platform/Frag/parameters/files.py -> build/lib/pele_platform/Frag/parameters 2021-03-25T21:29:20,423 copying pele_platform/Frag/parameters/__init__.py -> build/lib/pele_platform/Frag/parameters 2021-03-25T21:29:20,428 copying pele_platform/Frag/parameters/water.py -> build/lib/pele_platform/Frag/parameters 2021-03-25T21:29:20,433 copying pele_platform/Frag/parameters/main.py -> build/lib/pele_platform/Frag/parameters 2021-03-25T21:29:20,439 copying pele_platform/Frag/parameters/metrics.py -> build/lib/pele_platform/Frag/parameters 2021-03-25T21:29:20,446 copying pele_platform/Frag/parameters/simulation.py -> build/lib/pele_platform/Frag/parameters 2021-03-25T21:29:20,454 copying pele_platform/Frag/parameters/optional.py -> build/lib/pele_platform/Frag/parameters 2021-03-25T21:29:20,461 running egg_info 2021-03-25T21:29:20,482 writing pele_platform.egg-info/PKG-INFO 2021-03-25T21:29:20,489 writing top-level names to pele_platform.egg-info/top_level.txt 2021-03-25T21:29:20,492 writing requirements to pele_platform.egg-info/requires.txt 2021-03-25T21:29:20,495 writing dependency_links to pele_platform.egg-info/dependency_links.txt 2021-03-25T21:29:20,541 reading manifest file 'pele_platform.egg-info/SOURCES.txt' 2021-03-25T21:29:20,567 reading manifest template 'MANIFEST.in' 2021-03-25T21:29:20,570 warning: no files found matching 'pele_platform/Utilities/PlopRotTemp/param/*' 2021-03-25T21:29:20,571 warning: no files found matching 'pele_platform/AdaptivePELE/atomset/*' 2021-03-25T21:29:20,571 warning: no files found matching 'pele_platform/AdaptivePELE/freeEnergies/*' 2021-03-25T21:29:20,572 warning: no files found matching '*' under directory 'pele_platform/Utilities/PPP/Data/' 2021-03-25T21:29:21,014 warning: no files found matching '*' under directory 'tests/data' 2021-03-25T21:29:21,076 writing manifest file 'pele_platform.egg-info/SOURCES.txt' 2021-03-25T21:29:21,168 creating build/lib/pele_platform/Examples 2021-03-25T21:29:21,170 copying pele_platform/Examples/test.sl -> build/lib/pele_platform/Examples 2021-03-25T21:29:21,175 creating build/lib/pele_platform/Examples/Adaptive 2021-03-25T21:29:21,177 copying pele_platform/Examples/Adaptive/STR.rot.assign -> build/lib/pele_platform/Examples/Adaptive 2021-03-25T21:29:21,182 copying pele_platform/Examples/Adaptive/adaptive.conf -> build/lib/pele_platform/Examples/Adaptive 2021-03-25T21:29:21,188 copying pele_platform/Examples/Adaptive/pele_file_4Adaptive.conf -> build/lib/pele_platform/Examples/Adaptive 2021-03-25T21:29:21,195 copying pele_platform/Examples/Adaptive/strz -> build/lib/pele_platform/Examples/Adaptive 2021-03-25T21:29:21,207 copying pele_platform/Examples/Adaptive/test.sl -> build/lib/pele_platform/Examples/Adaptive 2021-03-25T21:29:21,213 creating build/lib/pele_platform/Examples/Msm 2021-03-25T21:29:21,216 copying pele_platform/Examples/Msm/AS4_INIT.mae -> build/lib/pele_platform/Examples/Msm 2021-03-25T21:29:21,225 copying pele_platform/Examples/Msm/PR_1A28_protein.pdb -> build/lib/pele_platform/Examples/Msm 2021-03-25T21:29:21,264 copying pele_platform/Examples/Msm/PR_1A28_xray_-_minimized.pdb -> build/lib/pele_platform/Examples/Msm 2021-03-25T21:29:21,303 copying pele_platform/Examples/Msm/PR_1A28_xray_-_minimized_processed.pdb -> build/lib/pele_platform/Examples/Msm 2021-03-25T21:29:21,339 copying pele_platform/Examples/Msm/PR_AS4.pdb -> build/lib/pele_platform/Examples/Msm 2021-03-25T21:29:21,375 copying pele_platform/Examples/Msm/input.yaml -> build/lib/pele_platform/Examples/Msm 2021-03-25T21:29:21,380 creating build/lib/pele_platform/Examples/PPI 2021-03-25T21:29:21,382 copying pele_platform/Examples/PPI/1f47_ligand.pdb -> build/lib/pele_platform/Examples/PPI 2021-03-25T21:29:21,388 copying pele_platform/Examples/PPI/1f47_prep.pdb -> build/lib/pele_platform/Examples/PPI 2021-03-25T21:29:21,412 copying pele_platform/Examples/PPI/1tnf_ligand.pdb -> build/lib/pele_platform/Examples/PPI 2021-03-25T21:29:21,420 copying pele_platform/Examples/PPI/1tnf_prep.pdb -> build/lib/pele_platform/Examples/PPI 2021-03-25T21:29:21,481 copying pele_platform/Examples/PPI/input.yaml -> build/lib/pele_platform/Examples/PPI 2021-03-25T21:29:21,486 copying pele_platform/Examples/PPI/input_folder.yaml -> build/lib/pele_platform/Examples/PPI 2021-03-25T21:29:21,491 copying pele_platform/Examples/PPI/input_skipref.yaml -> build/lib/pele_platform/Examples/PPI 2021-03-25T21:29:21,497 creating build/lib/pele_platform/Examples/RNA 2021-03-25T21:29:21,499 copying pele_platform/Examples/RNA/2l94.yaml -> build/lib/pele_platform/Examples/RNA 2021-03-25T21:29:21,507 copying pele_platform/Examples/RNA/5C45_prep.pdb -> build/lib/pele_platform/Examples/RNA 2021-03-25T21:29:21,551 copying pele_platform/Examples/RNA/5C45_prep_proc.pdb -> build/lib/pele_platform/Examples/RNA 2021-03-25T21:29:21,593 copying pele_platform/Examples/RNA/input.yaml -> build/lib/pele_platform/Examples/RNA 2021-03-25T21:29:21,598 copying pele_platform/Examples/RNA/input_induced.yaml -> build/lib/pele_platform/Examples/RNA 2021-03-25T21:29:21,604 creating build/lib/pele_platform/Examples/analysis 2021-03-25T21:29:21,607 copying pele_platform/Examples/analysis/input.yaml -> build/lib/pele_platform/Examples/analysis 2021-03-25T21:29:21,614 copying pele_platform/Examples/analysis/input_flags.yaml -> build/lib/pele_platform/Examples/analysis 2021-03-25T21:29:21,621 copying pele_platform/Examples/analysis/input_flags0.yaml -> build/lib/pele_platform/Examples/analysis 2021-03-25T21:29:21,628 copying pele_platform/Examples/analysis/input_xtc.yaml -> build/lib/pele_platform/Examples/analysis 2021-03-25T21:29:21,635 creating build/lib/pele_platform/Examples/analysis/data 2021-03-25T21:29:21,638 copying pele_platform/Examples/analysis/data/MG.rot.assign -> build/lib/pele_platform/Examples/analysis/data 2021-03-25T21:29:21,643 copying pele_platform/Examples/analysis/data/STR.rot.assign -> build/lib/pele_platform/Examples/analysis/data 2021-03-25T21:29:21,647 copying pele_platform/Examples/analysis/data/adaptive.conf -> build/lib/pele_platform/Examples/analysis/data 2021-03-25T21:29:21,653 copying pele_platform/Examples/analysis/data/input.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-03-25T21:29:21,658 copying pele_platform/Examples/analysis/data/input_flags.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-03-25T21:29:21,663 copying pele_platform/Examples/analysis/data/input_flags0.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-03-25T21:29:21,668 copying pele_platform/Examples/analysis/data/input_mae.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-03-25T21:29:21,673 copying pele_platform/Examples/analysis/data/mgz -> build/lib/pele_platform/Examples/analysis/data 2021-03-25T21:29:21,678 copying pele_platform/Examples/analysis/data/pele.conf -> build/lib/pele_platform/Examples/analysis/data 2021-03-25T21:29:21,684 copying pele_platform/Examples/analysis/data/strz -> build/lib/pele_platform/Examples/analysis/data 2021-03-25T21:29:21,690 creating build/lib/pele_platform/Examples/analysis/data/inputs 2021-03-25T21:29:21,692 copying pele_platform/Examples/analysis/data/inputs/input1.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-03-25T21:29:21,734 copying pele_platform/Examples/analysis/data/inputs/input2.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-03-25T21:29:21,773 copying pele_platform/Examples/analysis/data/inputs/input3.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-03-25T21:29:21,811 creating build/lib/pele_platform/Examples/analysis/data/output 2021-03-25T21:29:21,814 copying pele_platform/Examples/analysis/data/output/originalControlFile.conf -> build/lib/pele_platform/Examples/analysis/data/output 2021-03-25T21:29:21,820 creating build/lib/pele_platform/Examples/analysis/data/output/0 2021-03-25T21:29:21,824 copying pele_platform/Examples/analysis/data/output/0/report_1 -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-03-25T21:29:21,833 copying pele_platform/Examples/analysis/data/output/0/topologyMapping.txt -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-03-25T21:29:21,841 copying pele_platform/Examples/analysis/data/output/0/trajectory_1.pdb -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-03-25T21:29:21,880 creating build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-03-25T21:29:21,884 copying pele_platform/Examples/analysis/data/output/0/clustering/object.pkl -> build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-03-25T21:29:21,927 copying pele_platform/Examples/analysis/data/output/0/clustering/summary.txt -> build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-03-25T21:29:21,935 creating build/lib/pele_platform/Examples/analysis/data/output/synchronization 2021-03-25T21:29:21,939 copying pele_platform/Examples/analysis/data/output/synchronization/syncFile.lock -> build/lib/pele_platform/Examples/analysis/data/output/synchronization 2021-03-25T21:29:21,946 creating build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-03-25T21:29:21,949 copying pele_platform/Examples/analysis/data/output/topologies/topologies.pkl -> build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-03-25T21:29:21,984 copying pele_platform/Examples/analysis/data/output/topologies/topology_0.pdb -> build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-03-25T21:29:22,024 creating build/lib/pele_platform/Examples/analysis/data/xtc 2021-03-25T21:29:22,028 copying pele_platform/Examples/analysis/data/xtc/summary.csv -> build/lib/pele_platform/Examples/analysis/data/xtc 2021-03-25T21:29:22,036 creating build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-03-25T21:29:22,041 copying pele_platform/Examples/analysis/data/xtc/0/report_1 -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-03-25T21:29:22,048 copying pele_platform/Examples/analysis/data/xtc/0/report_2 -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-03-25T21:29:22,054 copying pele_platform/Examples/analysis/data/xtc/0/trajectory_1.xtc -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-03-25T21:29:22,061 copying pele_platform/Examples/analysis/data/xtc/0/trajectory_2.xtc -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-03-25T21:29:22,070 creating build/lib/pele_platform/Examples/analysis/data/xtc/topologies 2021-03-25T21:29:22,074 copying pele_platform/Examples/analysis/data/xtc/topologies/topology_0.pdb -> build/lib/pele_platform/Examples/analysis/data/xtc/topologies 2021-03-25T21:29:22,091 creating build/lib/pele_platform/Examples/bias 2021-03-25T21:29:22,094 copying pele_platform/Examples/bias/complex.pdb -> build/lib/pele_platform/Examples/bias 2021-03-25T21:29:22,132 copying pele_platform/Examples/bias/input_defaults.yaml -> build/lib/pele_platform/Examples/bias 2021-03-25T21:29:22,140 creating build/lib/pele_platform/Examples/box 2021-03-25T21:29:22,144 copying pele_platform/Examples/box/input.yaml -> build/lib/pele_platform/Examples/box 2021-03-25T21:29:22,151 creating build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,154 copying pele_platform/Examples/checker/complex.pdb -> build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,202 copying pele_platform/Examples/checker/complex2.pdb -> build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,230 copying pele_platform/Examples/checker/complex_unk.yaml -> build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,300 copying pele_platform/Examples/checker/input.yaml -> build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,308 copying pele_platform/Examples/checker/input_atom_string.yaml -> build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,316 copying pele_platform/Examples/checker/input_env.yaml -> build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,325 copying pele_platform/Examples/checker/input_map_atom_num.yaml -> build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,331 copying pele_platform/Examples/checker/input_map_atom_str.yaml -> build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,338 copying pele_platform/Examples/checker/input_pele_exec.yaml -> build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,344 copying pele_platform/Examples/checker/input_rotamer.yaml -> build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,350 copying pele_platform/Examples/checker/input_space.yaml -> build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,355 copying pele_platform/Examples/checker/input_tab.yaml -> build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,360 copying pele_platform/Examples/checker/input_template.yaml -> build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,365 copying pele_platform/Examples/checker/input_underscore.yaml -> build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,370 copying pele_platform/Examples/checker/input_unk.yaml -> build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,377 copying pele_platform/Examples/checker/ligand2.pdb -> build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,385 copying pele_platform/Examples/checker/mapping_complex.pdb -> build/lib/pele_platform/Examples/checker 2021-03-25T21:29:22,452 creating build/lib/pele_platform/Examples/clustering 2021-03-25T21:29:22,454 copying pele_platform/Examples/clustering/summary.csv -> build/lib/pele_platform/Examples/clustering 2021-03-25T21:29:22,459 creating build/lib/pele_platform/Examples/clustering/0 2021-03-25T21:29:22,461 copying pele_platform/Examples/clustering/0/report_1 -> build/lib/pele_platform/Examples/clustering/0 2021-03-25T21:29:22,467 copying pele_platform/Examples/clustering/0/report_2 -> build/lib/pele_platform/Examples/clustering/0 2021-03-25T21:29:22,473 copying pele_platform/Examples/clustering/0/report_3 -> build/lib/pele_platform/Examples/clustering/0 2021-03-25T21:29:22,479 copying pele_platform/Examples/clustering/0/report_4 -> build/lib/pele_platform/Examples/clustering/0 2021-03-25T21:29:22,486 copying pele_platform/Examples/clustering/0/topologyMapping.txt -> build/lib/pele_platform/Examples/clustering/0 2021-03-25T21:29:22,493 copying pele_platform/Examples/clustering/0/trajectory_1.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-03-25T21:29:22,561 copying pele_platform/Examples/clustering/0/trajectory_2.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-03-25T21:29:22,600 copying pele_platform/Examples/clustering/0/trajectory_3.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-03-25T21:29:22,672 copying pele_platform/Examples/clustering/0/trajectory_4.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-03-25T21:29:22,739 creating build/lib/pele_platform/Examples/clustering/0/clustering 2021-03-25T21:29:22,741 copying pele_platform/Examples/clustering/0/clustering/object.pkl -> build/lib/pele_platform/Examples/clustering/0/clustering 2021-03-25T21:29:22,962 copying pele_platform/Examples/clustering/0/clustering/summary.txt -> build/lib/pele_platform/Examples/clustering/0/clustering 2021-03-25T21:29:22,967 creating build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:22,969 copying pele_platform/Examples/constraints/1zop.pdb -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:22,998 copying pele_platform/Examples/constraints/4l3a_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,054 copying pele_platform/Examples/constraints/4qnr_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,106 copying pele_platform/Examples/constraints/4w4o_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,141 copying pele_platform/Examples/constraints/4w5i_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,174 copying pele_platform/Examples/constraints/4zu9_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,282 copying pele_platform/Examples/constraints/ca_constraints.pdb -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,350 copying pele_platform/Examples/constraints/complex_smiles_error.pdb -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,390 copying pele_platform/Examples/constraints/fail_input_permissive_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,396 copying pele_platform/Examples/constraints/input_all_metal_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,402 copying pele_platform/Examples/constraints/input_ca_noppp.yaml -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,410 copying pele_platform/Examples/constraints/input_ca_ppp.yaml -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,418 copying pele_platform/Examples/constraints/input_constrain_smarts.yaml -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,426 copying pele_platform/Examples/constraints/input_constrain_smiles.yaml -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,431 copying pele_platform/Examples/constraints/input_external_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,437 copying pele_platform/Examples/constraints/input_ignore.yaml -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,443 copying pele_platform/Examples/constraints/input_k.yaml -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,448 copying pele_platform/Examples/constraints/input_metals.yaml -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,454 copying pele_platform/Examples/constraints/input_no_metal_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,459 copying pele_platform/Examples/constraints/input_permissive_exception.yaml -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,465 copying pele_platform/Examples/constraints/input_smiles_error.yaml -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,471 copying pele_platform/Examples/constraints/input_square_planar.yaml -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,477 copying pele_platform/Examples/constraints/input_square_planar_polarisation.yaml -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,483 copying pele_platform/Examples/constraints/input_tetrahedral.yaml -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,489 copying pele_platform/Examples/constraints/pass_input_permissive_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-03-25T21:29:23,497 creating build/lib/pele_platform/Examples/enzyme_engineering 2021-03-25T21:29:23,501 copying pele_platform/Examples/enzyme_engineering/restart_saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering 2021-03-25T21:29:23,509 copying pele_platform/Examples/enzyme_engineering/saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering 2021-03-25T21:29:23,514 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-03-25T21:29:23,517 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/completed_mutations.log -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-03-25T21:29:23,523 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-03-25T21:29:23,525 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 2021-03-25T21:29:23,532 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 2021-03-25T21:29:23,538 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 2021-03-25T21:29:23,545 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 2021-03-25T21:29:23,552 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal 2021-03-25T21:29:23,555 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-03-25T21:29:23,559 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 2021-03-25T21:29:23,568 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates 2021-03-25T21:29:23,570 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005 2021-03-25T21:29:23,573 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-03-25T21:29:23,576 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 2021-03-25T21:29:23,583 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-03-25T21:29:23,586 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 2021-03-25T21:29:23,648 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 2021-03-25T21:29:23,713 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 2021-03-25T21:29:23,777 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 2021-03-25T21:29:23,838 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 2021-03-25T21:29:23,847 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 2021-03-25T21:29:23,912 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-03-25T21:29:23,916 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 2021-03-25T21:29:23,925 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-03-25T21:29:23,930 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 2021-03-25T21:29:23,938 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-03-25T21:29:23,941 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 2021-03-25T21:29:23,947 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 2021-03-25T21:29:23,953 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-03-25T21:29:23,956 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 2021-03-25T21:29:23,962 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 2021-03-25T21:29:23,968 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 2021-03-25T21:29:24,083 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 2021-03-25T21:29:24,202 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-03-25T21:29:24,207 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 2021-03-25T21:29:24,216 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 2021-03-25T21:29:24,223 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 2021-03-25T21:29:24,339 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 2021-03-25T21:29:24,458 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-03-25T21:29:24,461 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 2021-03-25T21:29:24,469 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-03-25T21:29:24,474 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 2021-03-25T21:29:24,582 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 2021-03-25T21:29:24,644 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 2021-03-25T21:29:24,710 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-03-25T21:29:24,714 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 2021-03-25T21:29:24,724 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 2021-03-25T21:29:24,790 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 2021-03-25T21:29:24,855 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-03-25T21:29:24,859 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 2021-03-25T21:29:24,868 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 2021-03-25T21:29:24,876 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 2021-03-25T21:29:24,883 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 2021-03-25T21:29:24,889 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-03-25T21:29:24,892 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 2021-03-25T21:29:24,952 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 2021-03-25T21:29:25,014 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 2021-03-25T21:29:25,022 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 2021-03-25T21:29:25,085 creating build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-03-25T21:29:25,088 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454A.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-03-25T21:29:25,150 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454D.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-03-25T21:29:25,215 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454E.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-03-25T21:29:25,281 creating build/lib/pele_platform/Examples/exit 2021-03-25T21:29:25,285 copying pele_platform/Examples/exit/input.yaml -> build/lib/pele_platform/Examples/exit 2021-03-25T21:29:25,293 copying pele_platform/Examples/exit/input_defaults.yaml -> build/lib/pele_platform/Examples/exit 2021-03-25T21:29:25,301 creating build/lib/pele_platform/Examples/exit_soft 2021-03-25T21:29:25,305 copying pele_platform/Examples/exit_soft/input.yaml -> build/lib/pele_platform/Examples/exit_soft 2021-03-25T21:29:25,311 copying pele_platform/Examples/exit_soft/input_defaults.yaml -> build/lib/pele_platform/Examples/exit_soft 2021-03-25T21:29:25,317 creating build/lib/pele_platform/Examples/flags 2021-03-25T21:29:25,320 copying pele_platform/Examples/flags/input.yaml -> build/lib/pele_platform/Examples/flags 2021-03-25T21:29:25,326 creating build/lib/pele_platform/Examples/frag 2021-03-25T21:29:25,328 copying pele_platform/Examples/frag/1w7h_preparation_structure_2w.pdb -> build/lib/pele_platform/Examples/frag 2021-03-25T21:29:25,377 copying pele_platform/Examples/frag/1w7h_preparation_structure_2w_processed.pdb -> build/lib/pele_platform/Examples/frag 2021-03-25T21:29:25,426 copying pele_platform/Examples/frag/amino.pdb -> build/lib/pele_platform/Examples/frag 2021-03-25T21:29:25,433 copying pele_platform/Examples/frag/core.pdb -> build/lib/pele_platform/Examples/frag 2021-03-25T21:29:25,441 copying pele_platform/Examples/frag/flags.conf -> build/lib/pele_platform/Examples/frag 2021-03-25T21:29:25,449 copying pele_platform/Examples/frag/input_ai.yaml -> build/lib/pele_platform/Examples/frag 2021-03-25T21:29:25,455 copying pele_platform/Examples/frag/input_core.yaml -> build/lib/pele_platform/Examples/frag 2021-03-25T21:29:25,461 copying pele_platform/Examples/frag/input_core_sdf.yaml -> build/lib/pele_platform/Examples/frag 2021-03-25T21:29:25,467 copying pele_platform/Examples/frag/input_flags.yaml -> build/lib/pele_platform/Examples/frag 2021-03-25T21:29:25,474 copying pele_platform/Examples/frag/input_lib_pdb.yaml -> build/lib/pele_platform/Examples/frag 2021-03-25T21:29:25,479 copying pele_platform/Examples/frag/input_lib_sdf.yaml -> build/lib/pele_platform/Examples/frag 2021-03-25T21:29:25,485 copying pele_platform/Examples/frag/input_point_analysis.yaml -> build/lib/pele_platform/Examples/frag 2021-03-25T21:29:25,491 copying pele_platform/Examples/frag/input_sim.yaml -> build/lib/pele_platform/Examples/frag 2021-03-25T21:29:25,499 copying pele_platform/Examples/frag/input_symmetry.yaml -> build/lib/pele_platform/Examples/frag 2021-03-25T21:29:25,508 copying pele_platform/Examples/frag/ligands.sdf -> build/lib/pele_platform/Examples/frag 2021-03-25T21:29:25,515 copying pele_platform/Examples/frag/sequential.conf -> build/lib/pele_platform/Examples/frag 2021-03-25T21:29:25,521 creating build/lib/pele_platform/Examples/frag/analysis_data 2021-03-25T21:29:25,522 creating build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1 2021-03-25T21:29:25,525 creating build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-03-25T21:29:25,528 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 2021-03-25T21:29:25,577 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 2021-03-25T21:29:25,626 creating build/lib/pele_platform/Examples/frag/checker 2021-03-25T21:29:25,628 copying pele_platform/Examples/frag/checker/4RFM_proc.pdb -> build/lib/pele_platform/Examples/frag/checker 2021-03-25T21:29:25,636 copying pele_platform/Examples/frag/checker/4RFM_series.sdf -> build/lib/pele_platform/Examples/frag/checker 2021-03-25T21:29:25,646 copying pele_platform/Examples/frag/checker/receptor.sdf -> build/lib/pele_platform/Examples/frag/checker 2021-03-25T21:29:25,679 creating build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-03-25T21:29:25,683 copying pele_platform/Examples/frag/pdb_test_lib/mol1.pdb -> build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-03-25T21:29:25,692 copying pele_platform/Examples/frag/pdb_test_lib/mol2.pdb -> build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-03-25T21:29:25,699 creating build/lib/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:25,701 copying pele_platform/Examples/frag/sdf_joiner/13_serie.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:25,714 copying pele_platform/Examples/frag/sdf_joiner/4RFM_core_sc.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:25,768 copying pele_platform/Examples/frag/sdf_joiner/4RFM_proc.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:25,822 copying pele_platform/Examples/frag/sdf_joiner/4RFM_series.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:25,832 copying pele_platform/Examples/frag/sdf_joiner/core2.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:25,874 copying pele_platform/Examples/frag/sdf_joiner/core3.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:25,895 copying pele_platform/Examples/frag/sdf_joiner/frag.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:25,905 copying pele_platform/Examples/frag/sdf_joiner/frag.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:25,911 copying pele_platform/Examples/frag/sdf_joiner/frag2.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:25,922 copying pele_platform/Examples/frag/sdf_joiner/frag2.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:25,931 copying pele_platform/Examples/frag/sdf_joiner/frag3.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:25,943 copying pele_platform/Examples/frag/sdf_joiner/frag3.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:25,948 copying pele_platform/Examples/frag/sdf_joiner/frag31.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:25,960 copying pele_platform/Examples/frag/sdf_joiner/frag4.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:25,967 copying pele_platform/Examples/frag/sdf_joiner/frag5.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:25,975 copying pele_platform/Examples/frag/sdf_joiner/glide-dockSARS_core.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:26,054 creating build/lib/pele_platform/Examples/frag/sdf_test_lib 2021-03-25T21:29:26,055 copying pele_platform/Examples/frag/sdf_test_lib/test_library.sdf -> build/lib/pele_platform/Examples/frag/sdf_test_lib 2021-03-25T21:29:26,061 creating build/lib/pele_platform/Examples/global 2021-03-25T21:29:26,063 copying pele_platform/Examples/global/input.yaml -> build/lib/pele_platform/Examples/global 2021-03-25T21:29:26,071 copying pele_platform/Examples/global/input_defaults.yaml -> build/lib/pele_platform/Examples/global 2021-03-25T21:29:26,078 copying pele_platform/Examples/global/input_inputs.yaml -> build/lib/pele_platform/Examples/global 2021-03-25T21:29:26,085 copying pele_platform/Examples/global/input_inputs_asterisc.yaml -> build/lib/pele_platform/Examples/global 2021-03-25T21:29:26,090 creating build/lib/pele_platform/Examples/gpcr 2021-03-25T21:29:26,091 copying pele_platform/Examples/gpcr/complex.pdb -> build/lib/pele_platform/Examples/gpcr 2021-03-25T21:29:26,134 copying pele_platform/Examples/gpcr/complex_processed.pdb -> build/lib/pele_platform/Examples/gpcr 2021-03-25T21:29:26,179 copying pele_platform/Examples/gpcr/input.yaml -> build/lib/pele_platform/Examples/gpcr 2021-03-25T21:29:26,186 copying pele_platform/Examples/gpcr/input_atom_error.yaml -> build/lib/pele_platform/Examples/gpcr 2021-03-25T21:29:26,192 copying pele_platform/Examples/gpcr/input_defaults.yaml -> build/lib/pele_platform/Examples/gpcr 2021-03-25T21:29:26,197 copying pele_platform/Examples/gpcr/input_defaults2.yaml -> build/lib/pele_platform/Examples/gpcr 2021-03-25T21:29:26,201 creating build/lib/pele_platform/Examples/induced_fit 2021-03-25T21:29:26,203 copying pele_platform/Examples/induced_fit/input_exhaustive.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-03-25T21:29:26,210 copying pele_platform/Examples/induced_fit/input_exhaustive_defaults.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-03-25T21:29:26,216 copying pele_platform/Examples/induced_fit/input_fast.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-03-25T21:29:26,223 copying pele_platform/Examples/induced_fit/input_fast_defaults.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-03-25T21:29:26,229 copying pele_platform/Examples/induced_fit/input_mae.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-03-25T21:29:26,233 creating build/lib/pele_platform/Examples/inputs 2021-03-25T21:29:26,235 copying pele_platform/Examples/inputs/input.yaml -> build/lib/pele_platform/Examples/inputs 2021-03-25T21:29:26,240 copying pele_platform/Examples/inputs/mn4.sl -> build/lib/pele_platform/Examples/inputs 2021-03-25T21:29:26,245 copying pele_platform/Examples/inputs/nord3.sge -> build/lib/pele_platform/Examples/inputs 2021-03-25T21:29:26,251 creating build/lib/pele_platform/Examples/interaction_restrictions 2021-03-25T21:29:26,253 copying pele_platform/Examples/interaction_restrictions/complex.pdb -> build/lib/pele_platform/Examples/interaction_restrictions 2021-03-25T21:29:26,322 copying pele_platform/Examples/interaction_restrictions/input.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-03-25T21:29:26,328 copying pele_platform/Examples/interaction_restrictions/input_error.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-03-25T21:29:26,333 copying pele_platform/Examples/interaction_restrictions/input_error_2.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-03-25T21:29:26,338 creating build/lib/pele_platform/Examples/interaction_restrictions/out 2021-03-25T21:29:26,340 copying pele_platform/Examples/interaction_restrictions/out/expected_conditions.txt -> build/lib/pele_platform/Examples/interaction_restrictions/out 2021-03-25T21:29:26,345 copying pele_platform/Examples/interaction_restrictions/out/expected_metrics.txt -> build/lib/pele_platform/Examples/interaction_restrictions/out 2021-03-25T21:29:26,350 creating build/lib/pele_platform/Examples/out_in 2021-03-25T21:29:26,353 copying pele_platform/Examples/out_in/1_3ZON_complex.pdb -> build/lib/pele_platform/Examples/out_in 2021-03-25T21:29:26,394 copying pele_platform/Examples/out_in/input.yaml -> build/lib/pele_platform/Examples/out_in 2021-03-25T21:29:26,401 copying pele_platform/Examples/out_in/input_default.yaml -> build/lib/pele_platform/Examples/out_in 2021-03-25T21:29:26,407 copying pele_platform/Examples/out_in/input_flag_error.yaml -> build/lib/pele_platform/Examples/out_in 2021-03-25T21:29:26,412 creating build/lib/pele_platform/Examples/pca 2021-03-25T21:29:26,414 copying pele_platform/Examples/pca/1.pdb -> build/lib/pele_platform/Examples/pca 2021-03-25T21:29:26,456 copying pele_platform/Examples/pca/2.pdb -> build/lib/pele_platform/Examples/pca 2021-03-25T21:29:26,499 copying pele_platform/Examples/pca/3.pdb -> build/lib/pele_platform/Examples/pca 2021-03-25T21:29:26,542 copying pele_platform/Examples/pca/input.yaml -> build/lib/pele_platform/Examples/pca 2021-03-25T21:29:26,549 copying pele_platform/Examples/pca/input_str.yaml -> build/lib/pele_platform/Examples/pca 2021-03-25T21:29:26,556 creating build/lib/pele_platform/Examples/preparation 2021-03-25T21:29:26,559 copying pele_platform/Examples/preparation/6qmk_correct.pdb -> build/lib/pele_platform/Examples/preparation 2021-03-25T21:29:26,609 copying pele_platform/Examples/preparation/6qmk_repeated.pdb -> build/lib/pele_platform/Examples/preparation 2021-03-25T21:29:26,665 copying pele_platform/Examples/preparation/complex.pdb -> build/lib/pele_platform/Examples/preparation 2021-03-25T21:29:26,704 copying pele_platform/Examples/preparation/complex_2.pdb -> build/lib/pele_platform/Examples/preparation 2021-03-25T21:29:26,766 copying pele_platform/Examples/preparation/input.yaml -> build/lib/pele_platform/Examples/preparation 2021-03-25T21:29:26,772 copying pele_platform/Examples/preparation/input_nonstandard.yaml -> build/lib/pele_platform/Examples/preparation 2021-03-25T21:29:26,778 copying pele_platform/Examples/preparation/input_space.yaml -> build/lib/pele_platform/Examples/preparation 2021-03-25T21:29:26,785 creating build/lib/pele_platform/Examples/production 2021-03-25T21:29:26,787 copying pele_platform/Examples/production/input.sl -> build/lib/pele_platform/Examples/production 2021-03-25T21:29:26,794 copying pele_platform/Examples/production/input_mae.yaml -> build/lib/pele_platform/Examples/production 2021-03-25T21:29:26,799 creating build/lib/pele_platform/Examples/rescoring 2021-03-25T21:29:26,801 copying pele_platform/Examples/rescoring/input.yaml -> build/lib/pele_platform/Examples/rescoring 2021-03-25T21:29:26,806 copying pele_platform/Examples/rescoring/input_defaults.yaml -> build/lib/pele_platform/Examples/rescoring 2021-03-25T21:29:26,811 creating build/lib/pele_platform/Examples/restart 2021-03-25T21:29:26,813 copying pele_platform/Examples/restart/input.yaml -> build/lib/pele_platform/Examples/restart 2021-03-25T21:29:26,820 creating build/lib/pele_platform/Examples/site_finder 2021-03-25T21:29:26,823 copying pele_platform/Examples/site_finder/complex.pdb -> build/lib/pele_platform/Examples/site_finder 2021-03-25T21:29:26,872 copying pele_platform/Examples/site_finder/input_folder.yaml -> build/lib/pele_platform/Examples/site_finder 2021-03-25T21:29:26,879 copying pele_platform/Examples/site_finder/input_global.yaml -> build/lib/pele_platform/Examples/site_finder 2021-03-25T21:29:26,885 copying pele_platform/Examples/site_finder/input_global_xtc.yaml -> build/lib/pele_platform/Examples/site_finder 2021-03-25T21:29:26,892 copying pele_platform/Examples/site_finder/input_restart.yaml -> build/lib/pele_platform/Examples/site_finder 2021-03-25T21:29:26,898 copying pele_platform/Examples/site_finder/input_skipref.yaml -> build/lib/pele_platform/Examples/site_finder 2021-03-25T21:29:26,904 creating build/lib/pele_platform/Examples/tutorials 2021-03-25T21:29:26,906 creating build/lib/pele_platform/Examples/tutorials/gpcr 2021-03-25T21:29:26,909 copying pele_platform/Examples/tutorials/gpcr/complex.pdb -> build/lib/pele_platform/Examples/tutorials/gpcr 2021-03-25T21:29:26,954 copying pele_platform/Examples/tutorials/gpcr/input.yaml -> build/lib/pele_platform/Examples/tutorials/gpcr 2021-03-25T21:29:26,960 creating build/lib/pele_platform/Examples/tutorials/induced_fit 2021-03-25T21:29:26,963 copying pele_platform/Examples/tutorials/induced_fit/docking.pdb -> build/lib/pele_platform/Examples/tutorials/induced_fit 2021-03-25T21:29:27,031 copying pele_platform/Examples/tutorials/induced_fit/input.yaml -> build/lib/pele_platform/Examples/tutorials/induced_fit 2021-03-25T21:29:27,038 creating build/lib/pele_platform/Examples/tutorials/ppi 2021-03-25T21:29:27,042 copying pele_platform/Examples/tutorials/ppi/4yy6_ligand.pdb -> build/lib/pele_platform/Examples/tutorials/ppi 2021-03-25T21:29:27,052 copying pele_platform/Examples/tutorials/ppi/4yy6_prep.pdb -> build/lib/pele_platform/Examples/tutorials/ppi 2021-03-25T21:29:27,080 copying pele_platform/Examples/tutorials/ppi/input.yaml -> build/lib/pele_platform/Examples/tutorials/ppi 2021-03-25T21:29:27,088 creating build/lib/pele_platform/Examples/water 2021-03-25T21:29:27,092 copying pele_platform/Examples/water/complex_induced.pdb -> build/lib/pele_platform/Examples/water 2021-03-25T21:29:27,114 copying pele_platform/Examples/water/complex_ref_LESSH2O.pdb -> build/lib/pele_platform/Examples/water 2021-03-25T21:29:27,161 copying pele_platform/Examples/water/input_all.yaml -> build/lib/pele_platform/Examples/water 2021-03-25T21:29:27,169 copying pele_platform/Examples/water/input_bs.yaml -> build/lib/pele_platform/Examples/water 2021-03-25T21:29:27,178 copying pele_platform/Examples/water/input_bs_defaults.yaml -> build/lib/pele_platform/Examples/water 2021-03-25T21:29:27,185 copying pele_platform/Examples/water/input_induced.yaml -> build/lib/pele_platform/Examples/water 2021-03-25T21:29:27,191 copying pele_platform/Examples/water/input_lig.yaml -> build/lib/pele_platform/Examples/water 2021-03-25T21:29:27,197 copying pele_platform/Examples/water/input_lig_defaults.yaml -> build/lib/pele_platform/Examples/water 2021-03-25T21:29:27,205 copying pele_platform/Examples/water/input_nwaters.yaml -> build/lib/pele_platform/Examples/water 2021-03-25T21:29:27,214 copying pele_platform/Examples/water/input_previous_water.yaml -> build/lib/pele_platform/Examples/water 2021-03-25T21:29:27,222 copying pele_platform/Examples/water/water_processed.pdb -> build/lib/pele_platform/Examples/water 2021-03-25T21:29:27,272 creating build/lib/pele_platform/Templates 2021-03-25T21:29:27,276 copying pele_platform/Templates/pele_template.conf -> build/lib/pele_platform/Templates 2021-03-25T21:29:27,286 copying pele_platform/Templates/solventParamsHCTOBC.txt -> build/lib/pele_platform/Templates 2021-03-25T21:29:27,301 copying pele_platform/Templates/template_adaptive.conf -> build/lib/pele_platform/Templates 2021-03-25T21:29:27,346 UPDATING build/lib/pele_platform/_version.py 2021-03-25T21:29:27,349 set build/lib/pele_platform/_version.py to '1.6.0b2' 2021-03-25T21:29:27,357 installing to build/bdist.linux-armv7l/wheel 2021-03-25T21:29:27,358 running install 2021-03-25T21:29:27,361 running install_lib 2021-03-25T21:29:27,369 creating build/bdist.linux-armv7l 2021-03-25T21:29:27,371 creating build/bdist.linux-armv7l/wheel 2021-03-25T21:29:27,376 creating build/bdist.linux-armv7l/wheel/pele_platform 2021-03-25T21:29:27,380 creating build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-03-25T21:29:27,383 copying build/lib/pele_platform/Adaptive/pca.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-03-25T21:29:27,389 copying build/lib/pele_platform/Adaptive/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-03-25T21:29:27,393 copying build/lib/pele_platform/Adaptive/solvent.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-03-25T21:29:27,398 copying build/lib/pele_platform/Adaptive/ligand_parametrization.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-03-25T21:29:27,403 copying build/lib/pele_platform/Adaptive/metrics.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-03-25T21:29:27,408 copying build/lib/pele_platform/Adaptive/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-03-25T21:29:27,415 copying build/lib/pele_platform/Adaptive/box.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-03-25T21:29:27,420 copying build/lib/pele_platform/Adaptive/interaction_restrictions.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-03-25T21:29:27,426 creating build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-03-25T21:29:27,429 copying build/lib/pele_platform/out_in/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-03-25T21:29:27,434 copying build/lib/pele_platform/out_in/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-03-25T21:29:27,440 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities 2021-03-25T21:29:27,444 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-03-25T21:29:27,448 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-03-25T21:29:27,451 copying build/lib/pele_platform/Utilities/Parameters/SimulationFolders/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-03-25T21:29:27,456 copying build/lib/pele_platform/Utilities/Parameters/SimulationFolders/simulation_folders.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-03-25T21:29:27,461 copying build/lib/pele_platform/Utilities/Parameters/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-03-25T21:29:27,467 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-03-25T21:29:27,471 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-03-25T21:29:27,474 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-03-25T21:29:27,479 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams/msm_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-03-25T21:29:27,484 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-03-25T21:29:27,489 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-03-25T21:29:27,492 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-03-25T21:29:27,497 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams/glide_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-03-25T21:29:27,502 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/simulation_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-03-25T21:29:27,510 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-03-25T21:29:27,513 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 2021-03-25T21:29:27,518 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-03-25T21:29:27,524 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-03-25T21:29:27,527 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-03-25T21:29:27,532 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI/ppi.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-03-25T21:29:27,538 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-03-25T21:29:27,541 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-03-25T21:29:27,546 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams/bias_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-03-25T21:29:27,552 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-03-25T21:29:27,555 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA/pca.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-03-25T21:29:27,561 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-03-25T21:29:27,566 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-03-25T21:29:27,569 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-03-25T21:29:27,574 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams/inout_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-03-25T21:29:27,579 copying build/lib/pele_platform/Utilities/Parameters/parameters.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-03-25T21:29:27,586 copying build/lib/pele_platform/Utilities/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities 2021-03-25T21:29:27,592 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,595 copying build/lib/pele_platform/Utilities/Helpers/template_builder.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,604 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-03-25T21:29:27,608 copying build/lib/pele_platform/Utilities/Helpers/Metals/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-03-25T21:29:27,615 copying build/lib/pele_platform/Utilities/Helpers/Metals/metal_polarisation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-03-25T21:29:27,621 copying build/lib/pele_platform/Utilities/Helpers/Metals/metal_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-03-25T21:29:27,629 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-03-25T21:29:27,631 copying build/lib/pele_platform/Utilities/Helpers/constraints/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-03-25T21:29:27,635 copying build/lib/pele_platform/Utilities/Helpers/constraints/smiles_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-03-25T21:29:27,642 copying build/lib/pele_platform/Utilities/Helpers/constraints/alpha_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-03-25T21:29:27,649 copying build/lib/pele_platform/Utilities/Helpers/launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,655 copying build/lib/pele_platform/Utilities/Helpers/randomize.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,661 copying build/lib/pele_platform/Utilities/Helpers/missing_residues.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,665 copying build/lib/pele_platform/Utilities/Helpers/center_of_mass.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,670 copying build/lib/pele_platform/Utilities/Helpers/protein_wizard.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,674 copying build/lib/pele_platform/Utilities/Helpers/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,679 copying build/lib/pele_platform/Utilities/Helpers/water.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,687 copying build/lib/pele_platform/Utilities/Helpers/helpers.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,694 copying build/lib/pele_platform/Utilities/Helpers/solventOBCParamsGenerator.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,700 copying build/lib/pele_platform/Utilities/Helpers/conda_deployment.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,704 copying build/lib/pele_platform/Utilities/Helpers/calculatePCA4PELE.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,711 copying build/lib/pele_platform/Utilities/Helpers/yaml_parser.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,718 copying build/lib/pele_platform/Utilities/Helpers/system_prep.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,725 copying build/lib/pele_platform/Utilities/Helpers/map_atoms.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,731 copying build/lib/pele_platform/Utilities/Helpers/interaction_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,737 copying build/lib/pele_platform/Utilities/Helpers/bestStructs.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,743 copying build/lib/pele_platform/Utilities/Helpers/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,748 copying build/lib/pele_platform/Utilities/Helpers/plop_launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-03-25T21:29:27,755 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples 2021-03-25T21:29:27,758 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-03-25T21:29:27,761 copying build/lib/pele_platform/Examples/inputs/nord3.sge -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-03-25T21:29:27,767 copying build/lib/pele_platform/Examples/inputs/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-03-25T21:29:27,772 copying build/lib/pele_platform/Examples/inputs/mn4.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-03-25T21:29:27,780 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-03-25T21:29:27,782 copying build/lib/pele_platform/Examples/Adaptive/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-03-25T21:29:27,787 copying build/lib/pele_platform/Examples/Adaptive/STR.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-03-25T21:29:27,791 copying build/lib/pele_platform/Examples/Adaptive/test.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-03-25T21:29:27,795 copying build/lib/pele_platform/Examples/Adaptive/pele_file_4Adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-03-25T21:29:27,800 copying build/lib/pele_platform/Examples/Adaptive/strz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-03-25T21:29:27,814 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:27,816 copying build/lib/pele_platform/Examples/constraints/4qnr_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:27,869 copying build/lib/pele_platform/Examples/constraints/4l3a_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:27,923 copying build/lib/pele_platform/Examples/constraints/input_tetrahedral.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:27,929 copying build/lib/pele_platform/Examples/constraints/input_constrain_smiles.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:27,935 copying build/lib/pele_platform/Examples/constraints/input_external_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:27,940 copying build/lib/pele_platform/Examples/constraints/input_ca_ppp.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:27,946 copying build/lib/pele_platform/Examples/constraints/input_permissive_exception.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:27,950 copying build/lib/pele_platform/Examples/constraints/input_ignore.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:27,954 copying build/lib/pele_platform/Examples/constraints/fail_input_permissive_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:27,958 copying build/lib/pele_platform/Examples/constraints/complex_smiles_error.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:27,998 copying build/lib/pele_platform/Examples/constraints/input_k.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:28,003 copying build/lib/pele_platform/Examples/constraints/input_ca_noppp.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:28,008 copying build/lib/pele_platform/Examples/constraints/input_metals.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:28,012 copying build/lib/pele_platform/Examples/constraints/input_square_planar_polarisation.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:28,016 copying build/lib/pele_platform/Examples/constraints/1zop.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:28,045 copying build/lib/pele_platform/Examples/constraints/ca_constraints.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:28,111 copying build/lib/pele_platform/Examples/constraints/4w4o_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:28,143 copying build/lib/pele_platform/Examples/constraints/input_smiles_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:28,148 copying build/lib/pele_platform/Examples/constraints/input_constrain_smarts.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:28,153 copying build/lib/pele_platform/Examples/constraints/pass_input_permissive_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:28,159 copying build/lib/pele_platform/Examples/constraints/input_no_metal_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:28,164 copying build/lib/pele_platform/Examples/constraints/4w5i_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:28,197 copying build/lib/pele_platform/Examples/constraints/input_square_planar.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:28,201 copying build/lib/pele_platform/Examples/constraints/4zu9_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:28,309 copying build/lib/pele_platform/Examples/constraints/input_all_metal_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-03-25T21:29:28,316 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-03-25T21:29:28,319 copying build/lib/pele_platform/Examples/out_in/input_flag_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-03-25T21:29:28,325 copying build/lib/pele_platform/Examples/out_in/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-03-25T21:29:28,330 copying build/lib/pele_platform/Examples/out_in/1_3ZON_complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-03-25T21:29:28,367 copying build/lib/pele_platform/Examples/out_in/input_default.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-03-25T21:29:28,373 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-03-25T21:29:28,375 copying build/lib/pele_platform/Examples/rescoring/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-03-25T21:29:28,381 copying build/lib/pele_platform/Examples/rescoring/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-03-25T21:29:28,388 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-03-25T21:29:28,391 copying build/lib/pele_platform/Examples/exit/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-03-25T21:29:28,395 copying build/lib/pele_platform/Examples/exit/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-03-25T21:29:28,401 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-03-25T21:29:28,402 copying build/lib/pele_platform/Examples/bias/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-03-25T21:29:28,439 copying build/lib/pele_platform/Examples/bias/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-03-25T21:29:28,446 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-03-25T21:29:28,448 copying build/lib/pele_platform/Examples/interaction_restrictions/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-03-25T21:29:28,515 copying build/lib/pele_platform/Examples/interaction_restrictions/input_error_2.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-03-25T21:29:28,519 copying build/lib/pele_platform/Examples/interaction_restrictions/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-03-25T21:29:28,523 copying build/lib/pele_platform/Examples/interaction_restrictions/input_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-03-25T21:29:28,528 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-03-25T21:29:28,530 copying build/lib/pele_platform/Examples/interaction_restrictions/out/expected_conditions.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-03-25T21:29:28,534 copying build/lib/pele_platform/Examples/interaction_restrictions/out/expected_metrics.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-03-25T21:29:28,540 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,542 copying build/lib/pele_platform/Examples/checker/complex_unk.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,605 copying build/lib/pele_platform/Examples/checker/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,648 copying build/lib/pele_platform/Examples/checker/input_map_atom_num.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,652 copying build/lib/pele_platform/Examples/checker/input_env.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,656 copying build/lib/pele_platform/Examples/checker/complex2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,681 copying build/lib/pele_platform/Examples/checker/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,685 copying build/lib/pele_platform/Examples/checker/input_atom_string.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,689 copying build/lib/pele_platform/Examples/checker/ligand2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,694 copying build/lib/pele_platform/Examples/checker/input_rotamer.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,699 copying build/lib/pele_platform/Examples/checker/input_map_atom_str.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,704 copying build/lib/pele_platform/Examples/checker/input_pele_exec.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,709 copying build/lib/pele_platform/Examples/checker/mapping_complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,776 copying build/lib/pele_platform/Examples/checker/input_space.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,781 copying build/lib/pele_platform/Examples/checker/input_template.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,785 copying build/lib/pele_platform/Examples/checker/input_unk.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,789 copying build/lib/pele_platform/Examples/checker/input_underscore.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,793 copying build/lib/pele_platform/Examples/checker/input_tab.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-03-25T21:29:28,799 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-03-25T21:29:28,801 copying build/lib/pele_platform/Examples/RNA/5C45_prep_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-03-25T21:29:28,844 copying build/lib/pele_platform/Examples/RNA/5C45_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-03-25T21:29:28,888 copying build/lib/pele_platform/Examples/RNA/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-03-25T21:29:28,893 copying build/lib/pele_platform/Examples/RNA/input_induced.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-03-25T21:29:28,899 copying build/lib/pele_platform/Examples/RNA/2l94.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-03-25T21:29:28,904 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials 2021-03-25T21:29:28,908 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-03-25T21:29:28,910 copying build/lib/pele_platform/Examples/tutorials/gpcr/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-03-25T21:29:28,951 copying build/lib/pele_platform/Examples/tutorials/gpcr/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-03-25T21:29:28,958 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-03-25T21:29:28,961 copying build/lib/pele_platform/Examples/tutorials/induced_fit/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-03-25T21:29:28,965 copying build/lib/pele_platform/Examples/tutorials/induced_fit/docking.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-03-25T21:29:29,029 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-03-25T21:29:29,031 copying build/lib/pele_platform/Examples/tutorials/ppi/4yy6_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-03-25T21:29:29,036 copying build/lib/pele_platform/Examples/tutorials/ppi/4yy6_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-03-25T21:29:29,059 copying build/lib/pele_platform/Examples/tutorials/ppi/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-03-25T21:29:29,065 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-03-25T21:29:29,068 copying build/lib/pele_platform/Examples/water/complex_ref_LESSH2O.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-03-25T21:29:29,116 copying build/lib/pele_platform/Examples/water/input_all.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-03-25T21:29:29,122 copying build/lib/pele_platform/Examples/water/input_lig_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-03-25T21:29:29,127 copying build/lib/pele_platform/Examples/water/input_bs_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-03-25T21:29:29,131 copying build/lib/pele_platform/Examples/water/input_nwaters.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-03-25T21:29:29,135 copying build/lib/pele_platform/Examples/water/complex_induced.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-03-25T21:29:29,152 copying build/lib/pele_platform/Examples/water/input_lig.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-03-25T21:29:29,156 copying build/lib/pele_platform/Examples/water/input_previous_water.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-03-25T21:29:29,160 copying build/lib/pele_platform/Examples/water/input_induced.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-03-25T21:29:29,165 copying build/lib/pele_platform/Examples/water/water_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-03-25T21:29:29,215 copying build/lib/pele_platform/Examples/water/input_bs.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-03-25T21:29:29,222 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/box 2021-03-25T21:29:29,225 copying build/lib/pele_platform/Examples/box/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/box 2021-03-25T21:29:29,229 copying build/lib/pele_platform/Examples/test.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples 2021-03-25T21:29:29,235 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart 2021-03-25T21:29:29,237 copying build/lib/pele_platform/Examples/restart/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart 2021-03-25T21:29:29,242 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-03-25T21:29:29,244 copying build/lib/pele_platform/Examples/site_finder/input_global_xtc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-03-25T21:29:29,250 copying build/lib/pele_platform/Examples/site_finder/input_folder.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-03-25T21:29:29,256 copying build/lib/pele_platform/Examples/site_finder/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-03-25T21:29:29,303 copying build/lib/pele_platform/Examples/site_finder/input_restart.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-03-25T21:29:29,309 copying build/lib/pele_platform/Examples/site_finder/input_global.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-03-25T21:29:29,315 copying build/lib/pele_platform/Examples/site_finder/input_skipref.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-03-25T21:29:29,323 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-03-25T21:29:29,325 copying build/lib/pele_platform/Examples/frag/1w7h_preparation_structure_2w_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-03-25T21:29:29,374 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data 2021-03-25T21:29:29,377 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1 2021-03-25T21:29:29,380 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-03-25T21:29:29,383 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 2021-03-25T21:29:29,431 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 2021-03-25T21:29:29,482 copying build/lib/pele_platform/Examples/frag/flags.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-03-25T21:29:29,490 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-03-25T21:29:29,492 copying build/lib/pele_platform/Examples/frag/checker/receptor.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-03-25T21:29:29,522 copying build/lib/pele_platform/Examples/frag/checker/4RFM_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-03-25T21:29:29,528 copying build/lib/pele_platform/Examples/frag/checker/4RFM_series.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-03-25T21:29:29,534 copying build/lib/pele_platform/Examples/frag/input_lib_sdf.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-03-25T21:29:29,538 copying build/lib/pele_platform/Examples/frag/input_core.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-03-25T21:29:29,543 copying build/lib/pele_platform/Examples/frag/sequential.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-03-25T21:29:29,547 copying build/lib/pele_platform/Examples/frag/input_symmetry.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-03-25T21:29:29,553 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:29,556 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag2.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:29,568 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag31.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:29,578 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_core_sc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:29,628 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:29,634 copying build/lib/pele_platform/Examples/frag/sdf_joiner/13_serie.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:29,645 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag3.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:29,649 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag2.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:29,653 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag3.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:29,662 copying build/lib/pele_platform/Examples/frag/sdf_joiner/core3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:29,678 copying build/lib/pele_platform/Examples/frag/sdf_joiner/core2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:29,717 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:29,723 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag4.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:29,727 copying build/lib/pele_platform/Examples/frag/sdf_joiner/glide-dockSARS_core.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:29,801 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag5.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:29,807 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:29,858 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_series.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-03-25T21:29:29,865 copying build/lib/pele_platform/Examples/frag/core.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-03-25T21:29:29,869 copying build/lib/pele_platform/Examples/frag/input_ai.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-03-25T21:29:29,874 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-03-25T21:29:29,876 copying build/lib/pele_platform/Examples/frag/pdb_test_lib/mol2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-03-25T21:29:29,880 copying build/lib/pele_platform/Examples/frag/pdb_test_lib/mol1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-03-25T21:29:29,885 copying build/lib/pele_platform/Examples/frag/1w7h_preparation_structure_2w.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-03-25T21:29:29,934 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_test_lib 2021-03-25T21:29:29,937 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 2021-03-25T21:29:29,943 copying build/lib/pele_platform/Examples/frag/ligands.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-03-25T21:29:29,947 copying build/lib/pele_platform/Examples/frag/input_lib_pdb.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-03-25T21:29:29,952 copying build/lib/pele_platform/Examples/frag/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-03-25T21:29:29,956 copying build/lib/pele_platform/Examples/frag/input_point_analysis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-03-25T21:29:29,960 copying build/lib/pele_platform/Examples/frag/input_sim.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-03-25T21:29:29,966 copying build/lib/pele_platform/Examples/frag/input_core_sdf.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-03-25T21:29:29,971 copying build/lib/pele_platform/Examples/frag/amino.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-03-25T21:29:29,979 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-03-25T21:29:29,982 copying build/lib/pele_platform/Examples/PPI/1tnf_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-03-25T21:29:29,988 copying build/lib/pele_platform/Examples/PPI/input_folder.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-03-25T21:29:29,992 copying build/lib/pele_platform/Examples/PPI/1f47_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-03-25T21:29:30,023 copying build/lib/pele_platform/Examples/PPI/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-03-25T21:29:30,028 copying build/lib/pele_platform/Examples/PPI/1tnf_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-03-25T21:29:30,091 copying build/lib/pele_platform/Examples/PPI/1f47_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-03-25T21:29:30,097 copying build/lib/pele_platform/Examples/PPI/input_skipref.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-03-25T21:29:30,104 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/flags 2021-03-25T21:29:30,106 copying build/lib/pele_platform/Examples/flags/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/flags 2021-03-25T21:29:30,112 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-03-25T21:29:30,114 copying build/lib/pele_platform/Examples/gpcr/input_defaults2.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-03-25T21:29:30,119 copying build/lib/pele_platform/Examples/gpcr/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-03-25T21:29:30,161 copying build/lib/pele_platform/Examples/gpcr/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-03-25T21:29:30,166 copying build/lib/pele_platform/Examples/gpcr/complex_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-03-25T21:29:30,206 copying build/lib/pele_platform/Examples/gpcr/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-03-25T21:29:30,212 copying build/lib/pele_platform/Examples/gpcr/input_atom_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-03-25T21:29:30,219 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-03-25T21:29:30,222 copying build/lib/pele_platform/Examples/induced_fit/input_exhaustive_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-03-25T21:29:30,228 copying build/lib/pele_platform/Examples/induced_fit/input_fast_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-03-25T21:29:30,232 copying build/lib/pele_platform/Examples/induced_fit/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-03-25T21:29:30,236 copying build/lib/pele_platform/Examples/induced_fit/input_fast.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-03-25T21:29:30,241 copying build/lib/pele_platform/Examples/induced_fit/input_exhaustive.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-03-25T21:29:30,246 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering 2021-03-25T21:29:30,249 copying build/lib/pele_platform/Examples/clustering/summary.csv -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering 2021-03-25T21:29:30,257 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-03-25T21:29:30,260 copying build/lib/pele_platform/Examples/clustering/0/trajectory_3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-03-25T21:29:30,330 copying build/lib/pele_platform/Examples/clustering/0/trajectory_4.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-03-25T21:29:30,398 copying build/lib/pele_platform/Examples/clustering/0/report_4 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-03-25T21:29:30,404 copying build/lib/pele_platform/Examples/clustering/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-03-25T21:29:30,409 copying build/lib/pele_platform/Examples/clustering/0/trajectory_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-03-25T21:29:30,479 copying build/lib/pele_platform/Examples/clustering/0/topologyMapping.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-03-25T21:29:30,485 copying build/lib/pele_platform/Examples/clustering/0/report_3 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-03-25T21:29:30,491 copying build/lib/pele_platform/Examples/clustering/0/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-03-25T21:29:30,499 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-03-25T21:29:30,501 copying build/lib/pele_platform/Examples/clustering/0/clustering/object.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-03-25T21:29:30,732 copying build/lib/pele_platform/Examples/clustering/0/clustering/summary.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-03-25T21:29:30,738 copying build/lib/pele_platform/Examples/clustering/0/trajectory_2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-03-25T21:29:30,778 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-03-25T21:29:30,781 copying build/lib/pele_platform/Examples/analysis/input_flags0.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-03-25T21:29:30,787 copying build/lib/pele_platform/Examples/analysis/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-03-25T21:29:30,795 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-03-25T21:29:30,797 copying build/lib/pele_platform/Examples/analysis/data/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-03-25T21:29:30,805 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-03-25T21:29:30,808 copying build/lib/pele_platform/Examples/analysis/data/inputs/input3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-03-25T21:29:30,847 copying build/lib/pele_platform/Examples/analysis/data/inputs/input2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-03-25T21:29:30,885 copying build/lib/pele_platform/Examples/analysis/data/inputs/input1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-03-25T21:29:30,926 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc 2021-03-25T21:29:30,930 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/topologies 2021-03-25T21:29:30,933 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 2021-03-25T21:29:30,948 copying build/lib/pele_platform/Examples/analysis/data/xtc/summary.csv -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc 2021-03-25T21:29:30,953 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-03-25T21:29:30,955 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-03-25T21:29:30,960 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 2021-03-25T21:29:30,966 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-03-25T21:29:30,971 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 2021-03-25T21:29:30,978 copying build/lib/pele_platform/Examples/analysis/data/input_flags0.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-03-25T21:29:30,984 copying build/lib/pele_platform/Examples/analysis/data/mgz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-03-25T21:29:30,988 copying build/lib/pele_platform/Examples/analysis/data/STR.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-03-25T21:29:30,993 copying build/lib/pele_platform/Examples/analysis/data/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-03-25T21:29:30,998 copying build/lib/pele_platform/Examples/analysis/data/MG.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-03-25T21:29:31,004 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output 2021-03-25T21:29:31,007 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/topologies 2021-03-25T21:29:31,009 copying build/lib/pele_platform/Examples/analysis/data/output/topologies/topologies.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/topologies 2021-03-25T21:29:31,044 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 2021-03-25T21:29:31,082 copying build/lib/pele_platform/Examples/analysis/data/output/originalControlFile.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output 2021-03-25T21:29:31,090 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/synchronization 2021-03-25T21:29:31,092 copying build/lib/pele_platform/Examples/analysis/data/output/synchronization/syncFile.lock -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/synchronization 2021-03-25T21:29:31,100 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-03-25T21:29:31,102 copying build/lib/pele_platform/Examples/analysis/data/output/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-03-25T21:29:31,108 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 2021-03-25T21:29:31,146 copying build/lib/pele_platform/Examples/analysis/data/output/0/topologyMapping.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-03-25T21:29:31,151 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0/clustering 2021-03-25T21:29:31,153 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 2021-03-25T21:29:31,190 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 2021-03-25T21:29:31,194 copying build/lib/pele_platform/Examples/analysis/data/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-03-25T21:29:31,198 copying build/lib/pele_platform/Examples/analysis/data/strz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-03-25T21:29:31,201 copying build/lib/pele_platform/Examples/analysis/data/pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-03-25T21:29:31,206 copying build/lib/pele_platform/Examples/analysis/data/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-03-25T21:29:31,211 copying build/lib/pele_platform/Examples/analysis/input_xtc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-03-25T21:29:31,217 copying build/lib/pele_platform/Examples/analysis/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-03-25T21:29:31,224 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-03-25T21:29:31,227 copying build/lib/pele_platform/Examples/pca/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-03-25T21:29:31,233 copying build/lib/pele_platform/Examples/pca/2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-03-25T21:29:31,275 copying build/lib/pele_platform/Examples/pca/input_str.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-03-25T21:29:31,280 copying build/lib/pele_platform/Examples/pca/1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-03-25T21:29:31,323 copying build/lib/pele_platform/Examples/pca/3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-03-25T21:29:31,369 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-03-25T21:29:31,371 copying build/lib/pele_platform/Examples/preparation/complex_2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-03-25T21:29:31,432 copying build/lib/pele_platform/Examples/preparation/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-03-25T21:29:31,470 copying build/lib/pele_platform/Examples/preparation/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-03-25T21:29:31,475 copying build/lib/pele_platform/Examples/preparation/input_nonstandard.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-03-25T21:29:31,481 copying build/lib/pele_platform/Examples/preparation/input_space.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-03-25T21:29:31,487 copying build/lib/pele_platform/Examples/preparation/6qmk_correct.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-03-25T21:29:31,534 copying build/lib/pele_platform/Examples/preparation/6qmk_repeated.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-03-25T21:29:31,591 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-03-25T21:29:31,594 copying build/lib/pele_platform/Examples/exit_soft/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-03-25T21:29:31,604 copying build/lib/pele_platform/Examples/exit_soft/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-03-25T21:29:31,611 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-03-25T21:29:31,614 copying build/lib/pele_platform/Examples/global/input_inputs.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-03-25T21:29:31,620 copying build/lib/pele_platform/Examples/global/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-03-25T21:29:31,626 copying build/lib/pele_platform/Examples/global/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-03-25T21:29:31,631 copying build/lib/pele_platform/Examples/global/input_inputs_asterisc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-03-25T21:29:31,639 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-03-25T21:29:31,641 copying build/lib/pele_platform/Examples/enzyme_engineering/restart_saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-03-25T21:29:31,648 copying build/lib/pele_platform/Examples/enzyme_engineering/saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-03-25T21:29:31,655 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-03-25T21:29:31,657 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454A.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-03-25T21:29:31,720 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454D.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-03-25T21:29:31,778 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454E.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-03-25T21:29:31,839 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-03-25T21:29:31,843 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-03-25T21:29:31,846 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 2021-03-25T21:29:31,853 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 2021-03-25T21:29:31,860 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-03-25T21:29:31,863 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 2021-03-25T21:29:31,926 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 2021-03-25T21:29:31,989 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 2021-03-25T21:29:32,051 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 2021-03-25T21:29:32,057 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 2021-03-25T21:29:32,063 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 2021-03-25T21:29:32,070 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-03-25T21:29:32,072 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 2021-03-25T21:29:32,079 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 2021-03-25T21:29:32,086 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-03-25T21:29:32,089 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 2021-03-25T21:29:32,152 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 2021-03-25T21:29:32,159 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 2021-03-25T21:29:32,223 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-03-25T21:29:32,228 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-03-25T21:29:32,231 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 2021-03-25T21:29:32,350 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 2021-03-25T21:29:32,355 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 2021-03-25T21:29:32,361 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 2021-03-25T21:29:32,526 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-03-25T21:29:32,529 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 2021-03-25T21:29:32,646 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 2021-03-25T21:29:32,652 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 2021-03-25T21:29:32,771 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 2021-03-25T21:29:32,779 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-03-25T21:29:32,781 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 2021-03-25T21:29:32,843 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 2021-03-25T21:29:32,945 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 2021-03-25T21:29:33,008 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 2021-03-25T21:29:33,016 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-03-25T21:29:33,019 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 2021-03-25T21:29:33,027 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-03-25T21:29:33,029 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 2021-03-25T21:29:33,037 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-03-25T21:29:33,040 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 2021-03-25T21:29:33,046 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 2021-03-25T21:29:33,054 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal 2021-03-25T21:29:33,058 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates 2021-03-25T21:29:33,063 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005 2021-03-25T21:29:33,068 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-03-25T21:29:33,071 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 2021-03-25T21:29:33,080 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-03-25T21:29:33,083 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 2021-03-25T21:29:33,091 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-03-25T21:29:33,094 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 2021-03-25T21:29:33,155 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 2021-03-25T21:29:33,217 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 2021-03-25T21:29:33,280 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 2021-03-25T21:29:33,342 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 2021-03-25T21:29:33,403 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 2021-03-25T21:29:33,408 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 2021-03-25T21:29:33,412 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 2021-03-25T21:29:33,418 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 2021-03-25T21:29:33,426 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-03-25T21:29:33,428 copying build/lib/pele_platform/Examples/Msm/PR_1A28_protein.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-03-25T21:29:33,467 copying build/lib/pele_platform/Examples/Msm/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-03-25T21:29:33,473 copying build/lib/pele_platform/Examples/Msm/AS4_INIT.mae -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-03-25T21:29:33,480 copying build/lib/pele_platform/Examples/Msm/PR_1A28_xray_-_minimized_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-03-25T21:29:33,519 copying build/lib/pele_platform/Examples/Msm/PR_1A28_xray_-_minimized.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-03-25T21:29:33,557 copying build/lib/pele_platform/Examples/Msm/PR_AS4.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-03-25T21:29:33,595 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-03-25T21:29:33,597 copying build/lib/pele_platform/Examples/production/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-03-25T21:29:33,602 copying build/lib/pele_platform/Examples/production/input.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-03-25T21:29:33,609 creating build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-03-25T21:29:33,617 copying build/lib/pele_platform/RNA/prep.py -> build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-03-25T21:29:33,623 copying build/lib/pele_platform/RNA/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-03-25T21:29:33,628 copying build/lib/pele_platform/_version.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-03-25T21:29:33,634 copying build/lib/pele_platform/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-03-25T21:29:33,641 creating build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-03-25T21:29:33,643 copying build/lib/pele_platform/Errors/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-03-25T21:29:33,649 copying build/lib/pele_platform/Errors/custom_errors.py -> build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-03-25T21:29:33,656 creating build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-03-25T21:29:33,659 copying build/lib/pele_platform/Frag/atoms.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-03-25T21:29:33,665 copying build/lib/pele_platform/Frag/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-03-25T21:29:33,670 copying build/lib/pele_platform/Frag/fragments.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-03-25T21:29:33,677 creating build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-03-25T21:29:33,680 copying build/lib/pele_platform/Frag/parameters/files.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-03-25T21:29:33,686 copying build/lib/pele_platform/Frag/parameters/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-03-25T21:29:33,692 copying build/lib/pele_platform/Frag/parameters/water.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-03-25T21:29:33,697 copying build/lib/pele_platform/Frag/parameters/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-03-25T21:29:33,703 copying build/lib/pele_platform/Frag/parameters/metrics.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-03-25T21:29:33,709 copying build/lib/pele_platform/Frag/parameters/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-03-25T21:29:33,715 copying build/lib/pele_platform/Frag/parameters/optional.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-03-25T21:29:33,721 copying build/lib/pele_platform/Frag/libraries.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-03-25T21:29:33,728 copying build/lib/pele_platform/Frag/helpers.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-03-25T21:29:33,735 copying build/lib/pele_platform/Frag/checker.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-03-25T21:29:33,740 copying build/lib/pele_platform/Frag/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-03-25T21:29:33,747 copying build/lib/pele_platform/Frag/analysis.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-03-25T21:29:33,754 copying build/lib/pele_platform/Frag/generative_model.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-03-25T21:29:33,761 creating build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-03-25T21:29:33,764 copying build/lib/pele_platform/site_finder/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-03-25T21:29:33,768 copying build/lib/pele_platform/site_finder/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-03-25T21:29:33,775 creating build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-03-25T21:29:33,777 copying build/lib/pele_platform/PPI/preparation.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-03-25T21:29:33,782 copying build/lib/pele_platform/PPI/cluster.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-03-25T21:29:33,787 copying build/lib/pele_platform/PPI/simulation_launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-03-25T21:29:33,792 copying build/lib/pele_platform/PPI/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-03-25T21:29:33,797 copying build/lib/pele_platform/PPI/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-03-25T21:29:33,804 copying build/lib/pele_platform/main.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-03-25T21:29:33,810 creating build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-03-25T21:29:33,812 copying build/lib/pele_platform/gpcr/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-03-25T21:29:33,816 copying build/lib/pele_platform/gpcr/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-03-25T21:29:33,822 creating build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-03-25T21:29:33,824 copying build/lib/pele_platform/Templates/solventParamsHCTOBC.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-03-25T21:29:33,836 copying build/lib/pele_platform/Templates/pele_template.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-03-25T21:29:33,842 copying build/lib/pele_platform/Templates/template_adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-03-25T21:29:33,849 creating build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-03-25T21:29:33,851 copying build/lib/pele_platform/Checker/environment_variables.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-03-25T21:29:33,856 copying build/lib/pele_platform/Checker/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-03-25T21:29:33,859 copying build/lib/pele_platform/Checker/executable.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-03-25T21:29:33,864 copying build/lib/pele_platform/Checker/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-03-25T21:29:33,868 copying build/lib/pele_platform/Checker/valid_flags.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-03-25T21:29:33,875 copying build/lib/pele_platform/Checker/python_version.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-03-25T21:29:33,883 creating build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-03-25T21:29:33,885 copying build/lib/pele_platform/analysis/pdf_report.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-03-25T21:29:33,891 copying build/lib/pele_platform/analysis/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-03-25T21:29:33,895 copying build/lib/pele_platform/analysis/clustering.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-03-25T21:29:33,901 copying build/lib/pele_platform/analysis/plot.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-03-25T21:29:33,906 copying build/lib/pele_platform/analysis/interactive_plot.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-03-25T21:29:33,914 copying build/lib/pele_platform/analysis/data.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-03-25T21:29:33,923 copying build/lib/pele_platform/analysis/analysis.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-03-25T21:29:33,933 copying build/lib/pele_platform/analysis/to_mae.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-03-25T21:29:33,938 creating build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-03-25T21:29:33,940 copying build/lib/pele_platform/enzyme_engineering/saturated_mutagenesis.py -> build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-03-25T21:29:33,946 copying build/lib/pele_platform/enzyme_engineering/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-03-25T21:29:33,952 creating build/bdist.linux-armv7l/wheel/pele_platform/features 2021-03-25T21:29:33,954 copying build/lib/pele_platform/features/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-03-25T21:29:33,960 copying build/lib/pele_platform/features/adaptive.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-03-25T21:29:33,966 copying build/lib/pele_platform/features/frag.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-03-25T21:29:33,972 creating build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-03-25T21:29:33,974 copying build/lib/pele_platform/constants/constants.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-03-25T21:29:33,980 copying build/lib/pele_platform/constants/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-03-25T21:29:33,984 copying build/lib/pele_platform/constants/pele_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-03-25T21:29:33,988 running install_egg_info 2021-03-25T21:29:34,017 Copying pele_platform.egg-info to build/bdist.linux-armv7l/wheel/pele_platform-1.6.0b2-py3.5.egg-info 2021-03-25T21:29:34,048 running install_scripts 2021-03-25T21:29:34,292 creating build/bdist.linux-armv7l/wheel/pele_platform-1.6.0b2.dist-info/WHEEL 2021-03-25T21:29:49,432 Building wheel for pele-platform (setup.py): finished with status 'done' 2021-03-25T21:29:49,609 Created wheel for pele-platform: filename=pele_platform-1.6.0b2-py3-none-any.whl size=10235871 sha256=2c6c7cf955df0ed5f5eeaf9b2ab43ac47d2cfe7743f0defb67146a2806ecee74 2021-03-25T21:29:49,610 Stored in directory: /tmp/pip-ephem-wheel-cache-xw1deg_i/wheels/12/8a/4a/d250001f05112e28e871e534555d91fd8c0dfe721e77d5781f 2021-03-25T21:29:49,676 Successfully built pele-platform 2021-03-25T21:29:51,450 Removed build tracker: '/tmp/pip-req-tracker-5mby2lrh'