2021-04-12T15:35:11,832 DEPRECATION: Python 3.5 reached the end of its life on September 13th, 2020. Please upgrade your Python as Python 3.5 is no longer maintained. pip 21.0 will drop support for Python 3.5 in January 2021. pip 21.0 will remove support for this functionality. 2021-04-12T15:35:12,543 Created temporary directory: /tmp/pip-ephem-wheel-cache-9n9o234_ 2021-04-12T15:35:12,548 Created temporary directory: /tmp/pip-req-tracker-1b_nlcuo 2021-04-12T15:35:12,549 Initialized build tracking at /tmp/pip-req-tracker-1b_nlcuo 2021-04-12T15:35:12,549 Created build tracker: /tmp/pip-req-tracker-1b_nlcuo 2021-04-12T15:35:12,549 Entered build tracker: /tmp/pip-req-tracker-1b_nlcuo 2021-04-12T15:35:12,551 Created temporary directory: /tmp/pip-wheel-_dw5wlm_ 2021-04-12T15:35:12,616 1 location(s) to search for versions of pele-platform: 2021-04-12T15:35:12,616 * https://pypi.org/simple/pele-platform/ 2021-04-12T15:35:12,616 Fetching project page and analyzing links: https://pypi.org/simple/pele-platform/ 2021-04-12T15:35:12,619 Getting page https://pypi.org/simple/pele-platform/ 2021-04-12T15:35:12,623 Found index url https://pypi.org/simple 2021-04-12T15:35:12,965 Found link https://files.pythonhosted.org/packages/f0/ac/9497572d7da4e501c8dddc3be3fa338744dbc27b67eb09275b8375fae2fd/pele_platform-1.0.0.1.tar.gz#sha256=e3c8bde654fe3d249714c4ddb1d3471944752f6840a6bcf4b399a3466931b838 (from https://pypi.org/simple/pele-platform/), version: 1.0.0.1 2021-04-12T15:35:12,966 Found link https://files.pythonhosted.org/packages/79/a0/d1b4b9269c3fe9dd2edc878a2dec9d3f4e7701cc932272169f44a025c2a9/pele_platform-1.0.0.2.tar.gz#sha256=919f487c943e6e71a8d82e56dac3051605ffdc6a680d168b5233cea95c9e4701 (from https://pypi.org/simple/pele-platform/), version: 1.0.0.2 2021-04-12T15:35:12,967 Found link https://files.pythonhosted.org/packages/a3/56/3cc9eb3b0ecf0943c4f4eb5b0729cd54906290f84dc4cfb230ad69ce99c6/pele_platform-1.0.0.3.tar.gz#sha256=ea4f3df0aeb65812e72eb9b24605146a7afeeb7f89ce7f769058c2e894654239 (from https://pypi.org/simple/pele-platform/), version: 1.0.0.3 2021-04-12T15:35:12,968 Found link https://files.pythonhosted.org/packages/d0/6d/1ac79163749b10c7f694dde1db24063d4e2f57bcf365db1b8cfa1b9f7f57/pele_platform-1.1.0.tar.gz#sha256=25a644fc27c0c364bfece9addd278a74a5a7ea5f4ab40b31fa8cd961e7485a65 (from https://pypi.org/simple/pele-platform/), version: 1.1.0 2021-04-12T15:35:12,969 Found link https://files.pythonhosted.org/packages/fd/15/306ea35b1d4be507caf1613d05fc16c076f070c2a16e6283a331695fcb5e/pele_platform-1.2.0.tar.gz#sha256=2967a976bafc47884ca49864ca87d40d87aa50c2fc57900c1f0517e84e789153 (from https://pypi.org/simple/pele-platform/), version: 1.2.0 2021-04-12T15:35:12,970 Found link https://files.pythonhosted.org/packages/74/98/cf2442f668f8ad6be1838c3ce7b87a409eee7448a1d7d033862ad0bda36c/pele_platform-1.2.1.tar.gz#sha256=5d30d563960934362ac79eb7a24b8f4b831076dba29bbb498901a0b0a1dca367 (from https://pypi.org/simple/pele-platform/), version: 1.2.1 2021-04-12T15:35:12,971 Found link https://files.pythonhosted.org/packages/1a/78/29b2eb73308b595668a9c22abd93ac88f82c49ebc6b004f332a774166391/pele_platform-1.2.2.tar.gz#sha256=00f579740db5455cea04c82e86b87c8f53045496ba61d9f4e96436f1d0cdfb08 (from https://pypi.org/simple/pele-platform/), version: 1.2.2 2021-04-12T15:35:12,972 Found link https://files.pythonhosted.org/packages/fb/6b/85f262d33a080377ea5202d5779c9402c23aaefc4e1b04bb94d9432aad42/pele_platform-1.2.3.tar.gz#sha256=18713b6811d7689accb54dde5429aa5225dcb8e520164fd7b4037453c63f74d9 (from https://pypi.org/simple/pele-platform/), version: 1.2.3 2021-04-12T15:35:12,973 Found link https://files.pythonhosted.org/packages/d5/15/707e6b89f0ee479d173ef2fe6a41af1ff9d91dd86e45067da5cee56761d9/pele_platform-1.3.0.tar.gz#sha256=fb7fb5dd59f9e3a76d371be6aa0b013209752c464862bf944de6b2a2903424a9 (from https://pypi.org/simple/pele-platform/), version: 1.3.0 2021-04-12T15:35:12,974 Found link https://files.pythonhosted.org/packages/7c/b0/4fda3001d5f13010bc2005e335f799f24d2204fc700a847e28091b57fabb/pele_platform-1.3.1.tar.gz#sha256=c6c0ac764ae30ce8a0650cdf0fc686fd733cb6b11fc15e6cccd5659166be3b33 (from https://pypi.org/simple/pele-platform/), version: 1.3.1 2021-04-12T15:35:12,975 Found link https://files.pythonhosted.org/packages/34/21/2f68d91d200432e0feb4662f6ba5538817335d86df60688e3a6f050dd21b/pele_platform-1.3.2.tar.gz#sha256=14c6e236347a1101f5de04bc25a32f302904bdb46326fb151c14e930a28d7a48 (from https://pypi.org/simple/pele-platform/), version: 1.3.2 2021-04-12T15:35:12,976 Found link https://files.pythonhosted.org/packages/63/a6/ad0bc781b4089093fd8aca4d75d237e0c0ae9d1f6b7e4b86a733f5a91b10/pele_platform-1.3.3.tar.gz#sha256=9e9e49d359bde42485b1c2d23b8a80c3de43064a672c260d18b9f10b55ee666e (from https://pypi.org/simple/pele-platform/), version: 1.3.3 2021-04-12T15:35:12,977 Found link https://files.pythonhosted.org/packages/e7/6a/4d8e75e0dbff74b22c76f4640a72798acfe6f55e35dcf0e9080dc8f36857/pele_platform-1.3.4.tar.gz#sha256=b8f7a2caac267df0381e8a3d73ddfeaec60cccc22336aa76178dbf3d2b2e880b (from https://pypi.org/simple/pele-platform/), version: 1.3.4 2021-04-12T15:35:12,977 Found link https://files.pythonhosted.org/packages/d2/7d/8f6c7c977288ed554723c003a885c118889c3bf76ac343961a84d330f85e/pele_platform-1.4.0.tar.gz#sha256=0190af77e0e24482742b634d120ac9b52135716bbbc93929bf688313f63e4a59 (from https://pypi.org/simple/pele-platform/), version: 1.4.0 2021-04-12T15:35:12,978 Found link https://files.pythonhosted.org/packages/ed/11/ff7cdcb7a17869082a94fc4c066a8bc6407a07f7c542c1dbc4919b1e091a/pele_platform-1.4.1.tar.gz#sha256=2f5327616aeff5be40d54b2771fd43b8cdb75086944c11800339bd44e0866c01 (from https://pypi.org/simple/pele-platform/), version: 1.4.1 2021-04-12T15:35:12,979 Found link https://files.pythonhosted.org/packages/4b/4f/fec23d74e8b1474fe25234fd34972a427234307dc9f7908f916e50036d81/pele_platform-1.4.2.tar.gz#sha256=c1092fb5c5cdb38736f621c434ff3112ea1cd1abc94d0bfe03ea7044b6e06612 (from https://pypi.org/simple/pele-platform/), version: 1.4.2 2021-04-12T15:35:12,980 Found link https://files.pythonhosted.org/packages/7a/b3/8eeb8c773a4fbf6561a929b8bab563f31384a0512a4708b4d0249ebc8c24/pele_platform-1.4.3.tar.gz#sha256=e491ac06c05301a846084e07ab709abf4b0507768710256443b6523b25339c40 (from https://pypi.org/simple/pele-platform/), version: 1.4.3 2021-04-12T15:35:12,981 Found link https://files.pythonhosted.org/packages/92/57/ff446766add00995f3fa0446f9c32ad52b759bab05d3f41e5ee51a8e76a8/pele_platform-1.4.4.tar.gz#sha256=eca94d45d76664106cff9915781740932635878b203b430d62f7aeb252ce59c7 (from https://pypi.org/simple/pele-platform/), version: 1.4.4 2021-04-12T15:35:12,982 Found link https://files.pythonhosted.org/packages/6d/f3/5ad1c5dab958edc8ecfb75883f8ac760308e570f3a0929104ba01a223f02/pele_platform-1.5.0.tar.gz#sha256=0b7eed2abd70f20caadcf9e9c8642cfc51d55d66ab114e42f0d425bfb6603323 (from https://pypi.org/simple/pele-platform/), version: 1.5.0 2021-04-12T15:35:12,983 Found link https://files.pythonhosted.org/packages/1c/b0/44dcc5184b218a7481babe8cd5738129741e29422e226308a583a3dd5629/pele_platform-1.5.1.tar.gz#sha256=9e138403c8fb65450d9841db279140f046a8325791af9983e202c9002bf44b93 (from https://pypi.org/simple/pele-platform/), version: 1.5.1 2021-04-12T15:35:12,984 Found link https://files.pythonhosted.org/packages/05/85/4cfdad270ebf569727204cbc9de66f22ef802d5079846f2631e1e6a11059/pele_platform-1.6.0b1.tar.gz#sha256=a7b5e566ec00598a1991d44c8748267104e5a123f462365a584632c94b36a7bf (from https://pypi.org/simple/pele-platform/), version: 1.6.0b1 2021-04-12T15:35:12,985 Found link https://files.pythonhosted.org/packages/c0/d6/f49f102325943cd3a82086e4740dfabd416c278d21ef9f3097fc1bb0ba7a/pele_platform-1.6.0b2.tar.gz#sha256=6bf2be383e50f6654f49f87e44dfc548f2aa1f5f002b25089ae2089ab0a92654 (from https://pypi.org/simple/pele-platform/), version: 1.6.0b2 2021-04-12T15:35:12,985 Found link https://files.pythonhosted.org/packages/f7/16/8db67212a622716e71ea8a9664e4da6207ae136369f2d1b3b802ca39baee/pele_platform-1.6.0b3.tar.gz#sha256=916a0f278c53e5eec786008a498654481c2e76b90b4385e75398872fd28b1f6e (from https://pypi.org/simple/pele-platform/), version: 1.6.0b3 2021-04-12T15:35:13,026 Given no hashes to check 1 links for project 'pele-platform': discarding no candidates 2021-04-12T15:35:13,060 Collecting pele-platform==1.6.0b3 2021-04-12T15:35:13,064 Created temporary directory: /tmp/pip-unpack-4inn5x8_ 2021-04-12T15:35:14,375 Downloading pele_platform-1.6.0b3.tar.gz (10.0 MB) 2021-04-12T15:35:25,519 Added pele-platform==1.6.0b3 from https://files.pythonhosted.org/packages/f7/16/8db67212a622716e71ea8a9664e4da6207ae136369f2d1b3b802ca39baee/pele_platform-1.6.0b3.tar.gz#sha256=916a0f278c53e5eec786008a498654481c2e76b90b4385e75398872fd28b1f6e to build tracker '/tmp/pip-req-tracker-1b_nlcuo' 2021-04-12T15:35:25,524 Running setup.py (path:/tmp/pip-wheel-_dw5wlm_/pele-platform_c38716bb277444e4af99fdd7bb0cdf93/setup.py) egg_info for package pele-platform 2021-04-12T15:35:25,526 Created temporary directory: /tmp/pip-pip-egg-info-fxqmm5at 2021-04-12T15:35:25,527 Running command python setup.py egg_info 2021-04-12T15:35:28,452 running egg_info 2021-04-12T15:35:28,458 creating /tmp/pip-pip-egg-info-fxqmm5at/pele_platform.egg-info 2021-04-12T15:35:28,460 writing /tmp/pip-pip-egg-info-fxqmm5at/pele_platform.egg-info/PKG-INFO 2021-04-12T15:35:28,465 writing dependency_links to /tmp/pip-pip-egg-info-fxqmm5at/pele_platform.egg-info/dependency_links.txt 2021-04-12T15:35:28,469 writing top-level names to /tmp/pip-pip-egg-info-fxqmm5at/pele_platform.egg-info/top_level.txt 2021-04-12T15:35:28,472 writing requirements to /tmp/pip-pip-egg-info-fxqmm5at/pele_platform.egg-info/requires.txt 2021-04-12T15:35:28,476 writing manifest file '/tmp/pip-pip-egg-info-fxqmm5at/pele_platform.egg-info/SOURCES.txt' 2021-04-12T15:35:28,526 reading manifest file '/tmp/pip-pip-egg-info-fxqmm5at/pele_platform.egg-info/SOURCES.txt' 2021-04-12T15:35:28,529 reading manifest template 'MANIFEST.in' 2021-04-12T15:35:28,533 warning: no files found matching 'pele_platform/Utilities/PlopRotTemp/param/*' 2021-04-12T15:35:28,534 warning: no files found matching 'pele_platform/AdaptivePELE/atomset/*' 2021-04-12T15:35:28,535 warning: no files found matching 'pele_platform/AdaptivePELE/freeEnergies/*' 2021-04-12T15:35:28,535 warning: no files found matching '*' under directory 'pele_platform/Utilities/PPP/Data/' 2021-04-12T15:35:28,972 warning: no files found matching '*' under directory 'tests/data' 2021-04-12T15:35:29,013 writing manifest file '/tmp/pip-pip-egg-info-fxqmm5at/pele_platform.egg-info/SOURCES.txt' 2021-04-12T15:35:29,155 Source in /tmp/pip-wheel-_dw5wlm_/pele-platform_c38716bb277444e4af99fdd7bb0cdf93 has version 1.6.0b3, which satisfies requirement pele-platform==1.6.0b3 from https://files.pythonhosted.org/packages/f7/16/8db67212a622716e71ea8a9664e4da6207ae136369f2d1b3b802ca39baee/pele_platform-1.6.0b3.tar.gz#sha256=916a0f278c53e5eec786008a498654481c2e76b90b4385e75398872fd28b1f6e 2021-04-12T15:35:29,156 Removed pele-platform==1.6.0b3 from https://files.pythonhosted.org/packages/f7/16/8db67212a622716e71ea8a9664e4da6207ae136369f2d1b3b802ca39baee/pele_platform-1.6.0b3.tar.gz#sha256=916a0f278c53e5eec786008a498654481c2e76b90b4385e75398872fd28b1f6e from build tracker '/tmp/pip-req-tracker-1b_nlcuo' 2021-04-12T15:35:29,165 Created temporary directory: /tmp/pip-unpack-8f1h3qdn 2021-04-12T15:35:29,167 Building wheels for collected packages: pele-platform 2021-04-12T15:35:29,175 Created temporary directory: /tmp/pip-wheel-itq3x87t 2021-04-12T15:35:29,176 Building wheel for pele-platform (setup.py): started 2021-04-12T15:35:29,177 Destination directory: /tmp/pip-wheel-itq3x87t 2021-04-12T15:35:29,178 Running command /usr/bin/python3 -u -c 'import sys, setuptools, tokenize; sys.argv[0] = '"'"'/tmp/pip-wheel-_dw5wlm_/pele-platform_c38716bb277444e4af99fdd7bb0cdf93/setup.py'"'"'; __file__='"'"'/tmp/pip-wheel-_dw5wlm_/pele-platform_c38716bb277444e4af99fdd7bb0cdf93/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-itq3x87t 2021-04-12T15:35:32,011 running bdist_wheel 2021-04-12T15:35:32,022 running build 2021-04-12T15:35:32,023 running build_py 2021-04-12T15:35:32,035 creating build 2021-04-12T15:35:32,036 creating build/lib 2021-04-12T15:35:32,037 creating build/lib/pele_platform 2021-04-12T15:35:32,040 copying pele_platform/_version.py -> build/lib/pele_platform 2021-04-12T15:35:32,045 copying pele_platform/main.py -> build/lib/pele_platform 2021-04-12T15:35:32,049 copying pele_platform/__init__.py -> build/lib/pele_platform 2021-04-12T15:35:32,055 creating build/lib/pele_platform/PPI 2021-04-12T15:35:32,058 copying pele_platform/PPI/preparation.py -> build/lib/pele_platform/PPI 2021-04-12T15:35:32,064 copying pele_platform/PPI/simulation_launcher.py -> build/lib/pele_platform/PPI 2021-04-12T15:35:32,070 copying pele_platform/PPI/main.py -> build/lib/pele_platform/PPI 2021-04-12T15:35:32,076 copying pele_platform/PPI/__init__.py -> build/lib/pele_platform/PPI 2021-04-12T15:35:32,079 copying pele_platform/PPI/cluster.py -> build/lib/pele_platform/PPI 2021-04-12T15:35:32,084 creating build/lib/pele_platform/features 2021-04-12T15:35:32,087 copying pele_platform/features/frag.py -> build/lib/pele_platform/features 2021-04-12T15:35:32,091 copying pele_platform/features/__init__.py -> build/lib/pele_platform/features 2021-04-12T15:35:32,095 copying pele_platform/features/adaptive.py -> build/lib/pele_platform/features 2021-04-12T15:35:32,104 creating build/lib/pele_platform/Checker 2021-04-12T15:35:32,107 copying pele_platform/Checker/main.py -> build/lib/pele_platform/Checker 2021-04-12T15:35:32,113 copying pele_platform/Checker/executable.py -> build/lib/pele_platform/Checker 2021-04-12T15:35:32,117 copying pele_platform/Checker/valid_flags.py -> build/lib/pele_platform/Checker 2021-04-12T15:35:32,122 copying pele_platform/Checker/__init__.py -> build/lib/pele_platform/Checker 2021-04-12T15:35:32,126 copying pele_platform/Checker/environment_variables.py -> build/lib/pele_platform/Checker 2021-04-12T15:35:32,130 copying pele_platform/Checker/python_version.py -> build/lib/pele_platform/Checker 2021-04-12T15:35:32,135 creating build/lib/pele_platform/Adaptive 2021-04-12T15:35:32,138 copying pele_platform/Adaptive/ligand_parametrization.py -> build/lib/pele_platform/Adaptive 2021-04-12T15:35:32,144 copying pele_platform/Adaptive/solvent.py -> build/lib/pele_platform/Adaptive 2021-04-12T15:35:32,149 copying pele_platform/Adaptive/metrics.py -> build/lib/pele_platform/Adaptive 2021-04-12T15:35:32,155 copying pele_platform/Adaptive/pca.py -> build/lib/pele_platform/Adaptive 2021-04-12T15:35:32,159 copying pele_platform/Adaptive/simulation.py -> build/lib/pele_platform/Adaptive 2021-04-12T15:35:32,165 copying pele_platform/Adaptive/interaction_restrictions.py -> build/lib/pele_platform/Adaptive 2021-04-12T15:35:32,170 copying pele_platform/Adaptive/box.py -> build/lib/pele_platform/Adaptive 2021-04-12T15:35:32,174 copying pele_platform/Adaptive/__init__.py -> build/lib/pele_platform/Adaptive 2021-04-12T15:35:32,181 creating build/lib/pele_platform/Frag 2021-04-12T15:35:32,184 copying pele_platform/Frag/libraries.py -> build/lib/pele_platform/Frag 2021-04-12T15:35:32,191 copying pele_platform/Frag/atoms.py -> build/lib/pele_platform/Frag 2021-04-12T15:35:32,197 copying pele_platform/Frag/helpers.py -> build/lib/pele_platform/Frag 2021-04-12T15:35:32,202 copying pele_platform/Frag/fragments.py -> build/lib/pele_platform/Frag 2021-04-12T15:35:32,206 copying pele_platform/Frag/simulation.py -> build/lib/pele_platform/Frag 2021-04-12T15:35:32,212 copying pele_platform/Frag/checker.py -> build/lib/pele_platform/Frag 2021-04-12T15:35:32,216 copying pele_platform/Frag/analysis.py -> build/lib/pele_platform/Frag 2021-04-12T15:35:32,223 copying pele_platform/Frag/__init__.py -> build/lib/pele_platform/Frag 2021-04-12T15:35:32,227 copying pele_platform/Frag/generative_model.py -> build/lib/pele_platform/Frag 2021-04-12T15:35:32,234 creating build/lib/pele_platform/constants 2021-04-12T15:35:32,237 copying pele_platform/constants/constants.py -> build/lib/pele_platform/constants 2021-04-12T15:35:32,243 copying pele_platform/constants/__init__.py -> build/lib/pele_platform/constants 2021-04-12T15:35:32,246 copying pele_platform/constants/pele_params.py -> build/lib/pele_platform/constants 2021-04-12T15:35:32,253 creating build/lib/pele_platform/analysis 2021-04-12T15:35:32,255 copying pele_platform/analysis/interactive_plot.py -> build/lib/pele_platform/analysis 2021-04-12T15:35:32,264 copying pele_platform/analysis/plot.py -> build/lib/pele_platform/analysis 2021-04-12T15:35:32,272 copying pele_platform/analysis/pdf_report.py -> build/lib/pele_platform/analysis 2021-04-12T15:35:32,278 copying pele_platform/analysis/data.py -> build/lib/pele_platform/analysis 2021-04-12T15:35:32,287 copying pele_platform/analysis/clustering.py -> build/lib/pele_platform/analysis 2021-04-12T15:35:32,295 copying pele_platform/analysis/analysis.py -> build/lib/pele_platform/analysis 2021-04-12T15:35:32,305 copying pele_platform/analysis/to_mae.py -> build/lib/pele_platform/analysis 2021-04-12T15:35:32,309 copying pele_platform/analysis/__init__.py -> build/lib/pele_platform/analysis 2021-04-12T15:35:32,314 creating build/lib/pele_platform/out_in 2021-04-12T15:35:32,316 copying pele_platform/out_in/main.py -> build/lib/pele_platform/out_in 2021-04-12T15:35:32,322 copying pele_platform/out_in/__init__.py -> build/lib/pele_platform/out_in 2021-04-12T15:35:32,328 creating build/lib/pele_platform/RNA 2021-04-12T15:35:32,331 copying pele_platform/RNA/prep.py -> build/lib/pele_platform/RNA 2021-04-12T15:35:32,337 copying pele_platform/RNA/__init__.py -> build/lib/pele_platform/RNA 2021-04-12T15:35:32,342 creating build/lib/pele_platform/Errors 2021-04-12T15:35:32,344 copying pele_platform/Errors/custom_errors.py -> build/lib/pele_platform/Errors 2021-04-12T15:35:32,348 copying pele_platform/Errors/__init__.py -> build/lib/pele_platform/Errors 2021-04-12T15:35:32,352 creating build/lib/pele_platform/gpcr 2021-04-12T15:35:32,354 copying pele_platform/gpcr/main.py -> build/lib/pele_platform/gpcr 2021-04-12T15:35:32,359 copying pele_platform/gpcr/__init__.py -> build/lib/pele_platform/gpcr 2021-04-12T15:35:32,365 creating build/lib/pele_platform/Utilities 2021-04-12T15:35:32,367 copying pele_platform/Utilities/__init__.py -> build/lib/pele_platform/Utilities 2021-04-12T15:35:32,374 creating build/lib/pele_platform/site_finder 2021-04-12T15:35:32,376 copying pele_platform/site_finder/main.py -> build/lib/pele_platform/site_finder 2021-04-12T15:35:32,382 copying pele_platform/site_finder/__init__.py -> build/lib/pele_platform/site_finder 2021-04-12T15:35:32,387 creating build/lib/pele_platform/enzyme_engineering 2021-04-12T15:35:32,388 copying pele_platform/enzyme_engineering/__init__.py -> build/lib/pele_platform/enzyme_engineering 2021-04-12T15:35:32,392 copying pele_platform/enzyme_engineering/saturated_mutagenesis.py -> build/lib/pele_platform/enzyme_engineering 2021-04-12T15:35:32,399 creating build/lib/pele_platform/Frag/parameters 2021-04-12T15:35:32,402 copying pele_platform/Frag/parameters/water.py -> build/lib/pele_platform/Frag/parameters 2021-04-12T15:35:32,408 copying pele_platform/Frag/parameters/optional.py -> build/lib/pele_platform/Frag/parameters 2021-04-12T15:35:32,414 copying pele_platform/Frag/parameters/metrics.py -> build/lib/pele_platform/Frag/parameters 2021-04-12T15:35:32,421 copying pele_platform/Frag/parameters/files.py -> build/lib/pele_platform/Frag/parameters 2021-04-12T15:35:32,427 copying pele_platform/Frag/parameters/simulation.py -> build/lib/pele_platform/Frag/parameters 2021-04-12T15:35:32,432 copying pele_platform/Frag/parameters/__init__.py -> build/lib/pele_platform/Frag/parameters 2021-04-12T15:35:32,439 creating build/lib/pele_platform/Utilities/Parameters 2021-04-12T15:35:32,442 copying pele_platform/Utilities/Parameters/parameters.py -> build/lib/pele_platform/Utilities/Parameters 2021-04-12T15:35:32,448 copying pele_platform/Utilities/Parameters/__init__.py -> build/lib/pele_platform/Utilities/Parameters 2021-04-12T15:35:32,455 creating build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,457 copying pele_platform/Utilities/Helpers/water.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,464 copying pele_platform/Utilities/Helpers/system_prep.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,471 copying pele_platform/Utilities/Helpers/launcher.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,478 copying pele_platform/Utilities/Helpers/interaction_constraints.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,484 copying pele_platform/Utilities/Helpers/center_of_mass.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,490 copying pele_platform/Utilities/Helpers/helpers.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,497 copying pele_platform/Utilities/Helpers/calculatePCA4PELE.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,505 copying pele_platform/Utilities/Helpers/plop_launcher.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,509 copying pele_platform/Utilities/Helpers/yaml_parser.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,515 copying pele_platform/Utilities/Helpers/protein_wizard.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,520 copying pele_platform/Utilities/Helpers/simulation.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,527 copying pele_platform/Utilities/Helpers/conda_deployment.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,532 copying pele_platform/Utilities/Helpers/randomize.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,539 copying pele_platform/Utilities/Helpers/missing_residues.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,545 copying pele_platform/Utilities/Helpers/bestStructs.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,552 copying pele_platform/Utilities/Helpers/template_builder.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,558 copying pele_platform/Utilities/Helpers/solventOBCParamsGenerator.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,565 copying pele_platform/Utilities/Helpers/__init__.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,570 copying pele_platform/Utilities/Helpers/map_atoms.py -> build/lib/pele_platform/Utilities/Helpers 2021-04-12T15:35:32,578 creating build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-04-12T15:35:32,582 copying pele_platform/Utilities/Parameters/SimulationFolders/simulation_folders.py -> build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-04-12T15:35:32,586 copying pele_platform/Utilities/Parameters/SimulationFolders/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationFolders 2021-04-12T15:35:32,590 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-04-12T15:35:32,593 copying pele_platform/Utilities/Parameters/SimulationParams/simulation_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-04-12T15:35:32,599 copying pele_platform/Utilities/Parameters/SimulationParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams 2021-04-12T15:35:32,604 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-04-12T15:35:32,607 copying pele_platform/Utilities/Parameters/SimulationParams/BiasParams/bias_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-04-12T15:35:32,613 copying pele_platform/Utilities/Parameters/SimulationParams/BiasParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-04-12T15:35:32,619 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-04-12T15:35:32,622 copying pele_platform/Utilities/Parameters/SimulationParams/PPI/ppi.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-04-12T15:35:32,627 copying pele_platform/Utilities/Parameters/SimulationParams/PPI/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-04-12T15:35:32,631 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-04-12T15:35:32,633 copying pele_platform/Utilities/Parameters/SimulationParams/PCA/pca.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-04-12T15:35:32,638 copying pele_platform/Utilities/Parameters/SimulationParams/PCA/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-04-12T15:35:32,642 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-04-12T15:35:32,645 copying pele_platform/Utilities/Parameters/SimulationParams/InOutParams/inout_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-04-12T15:35:32,651 copying pele_platform/Utilities/Parameters/SimulationParams/InOutParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-04-12T15:35:32,659 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-04-12T15:35:32,661 copying pele_platform/Utilities/Parameters/SimulationParams/GlideParams/glide_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-04-12T15:35:32,667 copying pele_platform/Utilities/Parameters/SimulationParams/GlideParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-04-12T15:35:32,671 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-04-12T15:35:32,673 copying pele_platform/Utilities/Parameters/SimulationParams/MSMParams/msm_params.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-04-12T15:35:32,678 copying pele_platform/Utilities/Parameters/SimulationParams/MSMParams/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-04-12T15:35:32,682 creating build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-04-12T15:35:32,684 copying pele_platform/Utilities/Parameters/SimulationParams/site_finder/site_finder.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-04-12T15:35:32,690 copying pele_platform/Utilities/Parameters/SimulationParams/site_finder/__init__.py -> build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-04-12T15:35:32,697 creating build/lib/pele_platform/Utilities/Helpers/constraints 2021-04-12T15:35:32,700 copying pele_platform/Utilities/Helpers/constraints/smiles_constraints.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-04-12T15:35:32,707 copying pele_platform/Utilities/Helpers/constraints/alpha_constraints.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-04-12T15:35:32,712 copying pele_platform/Utilities/Helpers/constraints/__init__.py -> build/lib/pele_platform/Utilities/Helpers/constraints 2021-04-12T15:35:32,716 creating build/lib/pele_platform/Utilities/Helpers/Metals 2021-04-12T15:35:32,718 copying pele_platform/Utilities/Helpers/Metals/metal_polarisation.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-04-12T15:35:32,723 copying pele_platform/Utilities/Helpers/Metals/metal_constraints.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-04-12T15:35:32,730 copying pele_platform/Utilities/Helpers/Metals/__init__.py -> build/lib/pele_platform/Utilities/Helpers/Metals 2021-04-12T15:35:32,735 running egg_info 2021-04-12T15:35:32,760 writing top-level names to pele_platform.egg-info/top_level.txt 2021-04-12T15:35:32,762 writing requirements to pele_platform.egg-info/requires.txt 2021-04-12T15:35:32,765 writing pele_platform.egg-info/PKG-INFO 2021-04-12T15:35:32,770 writing dependency_links to pele_platform.egg-info/dependency_links.txt 2021-04-12T15:35:32,814 reading manifest file 'pele_platform.egg-info/SOURCES.txt' 2021-04-12T15:35:32,838 reading manifest template 'MANIFEST.in' 2021-04-12T15:35:32,840 warning: no files found matching 'pele_platform/Utilities/PlopRotTemp/param/*' 2021-04-12T15:35:32,841 warning: no files found matching 'pele_platform/AdaptivePELE/atomset/*' 2021-04-12T15:35:32,842 warning: no files found matching 'pele_platform/AdaptivePELE/freeEnergies/*' 2021-04-12T15:35:32,842 warning: no files found matching '*' under directory 'pele_platform/Utilities/PPP/Data/' 2021-04-12T15:35:33,409 warning: no files found matching '*' under directory 'tests/data' 2021-04-12T15:35:33,471 writing manifest file 'pele_platform.egg-info/SOURCES.txt' 2021-04-12T15:35:33,564 creating build/lib/pele_platform/Examples 2021-04-12T15:35:33,566 copying pele_platform/Examples/test.sl -> build/lib/pele_platform/Examples 2021-04-12T15:35:33,572 creating build/lib/pele_platform/Examples/Adaptive 2021-04-12T15:35:33,574 copying pele_platform/Examples/Adaptive/STR.rot.assign -> build/lib/pele_platform/Examples/Adaptive 2021-04-12T15:35:33,579 copying pele_platform/Examples/Adaptive/adaptive.conf -> build/lib/pele_platform/Examples/Adaptive 2021-04-12T15:35:33,584 copying pele_platform/Examples/Adaptive/pele_file_4Adaptive.conf -> build/lib/pele_platform/Examples/Adaptive 2021-04-12T15:35:33,589 copying pele_platform/Examples/Adaptive/strz -> build/lib/pele_platform/Examples/Adaptive 2021-04-12T15:35:33,601 copying pele_platform/Examples/Adaptive/test.sl -> build/lib/pele_platform/Examples/Adaptive 2021-04-12T15:35:33,607 creating build/lib/pele_platform/Examples/Msm 2021-04-12T15:35:33,610 copying pele_platform/Examples/Msm/AS4_INIT.mae -> build/lib/pele_platform/Examples/Msm 2021-04-12T15:35:33,619 copying pele_platform/Examples/Msm/PR_1A28_protein.pdb -> build/lib/pele_platform/Examples/Msm 2021-04-12T15:35:33,658 copying pele_platform/Examples/Msm/PR_1A28_xray_-_minimized.pdb -> build/lib/pele_platform/Examples/Msm 2021-04-12T15:35:33,696 copying pele_platform/Examples/Msm/PR_1A28_xray_-_minimized_processed.pdb -> build/lib/pele_platform/Examples/Msm 2021-04-12T15:35:33,734 copying pele_platform/Examples/Msm/PR_AS4.pdb -> build/lib/pele_platform/Examples/Msm 2021-04-12T15:35:33,772 copying pele_platform/Examples/Msm/input.yaml -> build/lib/pele_platform/Examples/Msm 2021-04-12T15:35:33,779 creating build/lib/pele_platform/Examples/PPI 2021-04-12T15:35:33,781 copying pele_platform/Examples/PPI/1f47_ligand.pdb -> build/lib/pele_platform/Examples/PPI 2021-04-12T15:35:33,789 copying pele_platform/Examples/PPI/1f47_prep.pdb -> build/lib/pele_platform/Examples/PPI 2021-04-12T15:35:33,813 copying pele_platform/Examples/PPI/1tnf_ligand.pdb -> build/lib/pele_platform/Examples/PPI 2021-04-12T15:35:33,821 copying pele_platform/Examples/PPI/1tnf_prep.pdb -> build/lib/pele_platform/Examples/PPI 2021-04-12T15:35:33,884 copying pele_platform/Examples/PPI/input.yaml -> build/lib/pele_platform/Examples/PPI 2021-04-12T15:35:33,889 copying pele_platform/Examples/PPI/input_folder.yaml -> build/lib/pele_platform/Examples/PPI 2021-04-12T15:35:33,894 copying pele_platform/Examples/PPI/input_skipref.yaml -> build/lib/pele_platform/Examples/PPI 2021-04-12T15:35:33,900 creating build/lib/pele_platform/Examples/RNA 2021-04-12T15:35:33,903 copying pele_platform/Examples/RNA/2l94.yaml -> build/lib/pele_platform/Examples/RNA 2021-04-12T15:35:33,911 copying pele_platform/Examples/RNA/5C45_prep.pdb -> build/lib/pele_platform/Examples/RNA 2021-04-12T15:35:33,953 copying pele_platform/Examples/RNA/5C45_prep_proc.pdb -> build/lib/pele_platform/Examples/RNA 2021-04-12T15:35:33,993 copying pele_platform/Examples/RNA/input.yaml -> build/lib/pele_platform/Examples/RNA 2021-04-12T15:35:33,999 copying pele_platform/Examples/RNA/input_induced.yaml -> build/lib/pele_platform/Examples/RNA 2021-04-12T15:35:34,005 creating build/lib/pele_platform/Examples/analysis 2021-04-12T15:35:34,008 copying pele_platform/Examples/analysis/input.yaml -> build/lib/pele_platform/Examples/analysis 2021-04-12T15:35:34,015 copying pele_platform/Examples/analysis/input_flags.yaml -> build/lib/pele_platform/Examples/analysis 2021-04-12T15:35:34,021 copying pele_platform/Examples/analysis/input_flags0.yaml -> build/lib/pele_platform/Examples/analysis 2021-04-12T15:35:34,026 copying pele_platform/Examples/analysis/input_xtc.yaml -> build/lib/pele_platform/Examples/analysis 2021-04-12T15:35:34,031 creating build/lib/pele_platform/Examples/analysis/data 2021-04-12T15:35:34,033 copying pele_platform/Examples/analysis/data/MG.rot.assign -> build/lib/pele_platform/Examples/analysis/data 2021-04-12T15:35:34,037 copying pele_platform/Examples/analysis/data/STR.rot.assign -> build/lib/pele_platform/Examples/analysis/data 2021-04-12T15:35:34,043 copying pele_platform/Examples/analysis/data/adaptive.conf -> build/lib/pele_platform/Examples/analysis/data 2021-04-12T15:35:34,050 copying pele_platform/Examples/analysis/data/input.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-04-12T15:35:34,057 copying pele_platform/Examples/analysis/data/input_flags.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-04-12T15:35:34,062 copying pele_platform/Examples/analysis/data/input_flags0.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-04-12T15:35:34,067 copying pele_platform/Examples/analysis/data/input_mae.yaml -> build/lib/pele_platform/Examples/analysis/data 2021-04-12T15:35:34,072 copying pele_platform/Examples/analysis/data/mgz -> build/lib/pele_platform/Examples/analysis/data 2021-04-12T15:35:34,076 copying pele_platform/Examples/analysis/data/pele.conf -> build/lib/pele_platform/Examples/analysis/data 2021-04-12T15:35:34,083 copying pele_platform/Examples/analysis/data/strz -> build/lib/pele_platform/Examples/analysis/data 2021-04-12T15:35:34,089 creating build/lib/pele_platform/Examples/analysis/data/inputs 2021-04-12T15:35:34,092 copying pele_platform/Examples/analysis/data/inputs/input1.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-04-12T15:35:34,134 copying pele_platform/Examples/analysis/data/inputs/input2.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-04-12T15:35:34,175 copying pele_platform/Examples/analysis/data/inputs/input3.pdb -> build/lib/pele_platform/Examples/analysis/data/inputs 2021-04-12T15:35:34,216 creating build/lib/pele_platform/Examples/analysis/data/output 2021-04-12T15:35:34,218 copying pele_platform/Examples/analysis/data/output/originalControlFile.conf -> build/lib/pele_platform/Examples/analysis/data/output 2021-04-12T15:35:34,225 creating build/lib/pele_platform/Examples/analysis/data/output/0 2021-04-12T15:35:34,226 copying pele_platform/Examples/analysis/data/output/0/report_1 -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-04-12T15:35:34,232 copying pele_platform/Examples/analysis/data/output/0/topologyMapping.txt -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-04-12T15:35:34,237 copying pele_platform/Examples/analysis/data/output/0/trajectory_1.pdb -> build/lib/pele_platform/Examples/analysis/data/output/0 2021-04-12T15:35:34,275 creating build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-04-12T15:35:34,277 copying pele_platform/Examples/analysis/data/output/0/clustering/object.pkl -> build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-04-12T15:35:34,319 copying pele_platform/Examples/analysis/data/output/0/clustering/summary.txt -> build/lib/pele_platform/Examples/analysis/data/output/0/clustering 2021-04-12T15:35:34,325 creating build/lib/pele_platform/Examples/analysis/data/output/synchronization 2021-04-12T15:35:34,327 copying pele_platform/Examples/analysis/data/output/synchronization/syncFile.lock -> build/lib/pele_platform/Examples/analysis/data/output/synchronization 2021-04-12T15:35:34,332 creating build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-04-12T15:35:34,334 copying pele_platform/Examples/analysis/data/output/topologies/topologies.pkl -> build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-04-12T15:35:34,369 copying pele_platform/Examples/analysis/data/output/topologies/topology_0.pdb -> build/lib/pele_platform/Examples/analysis/data/output/topologies 2021-04-12T15:35:34,409 creating build/lib/pele_platform/Examples/analysis/data/xtc 2021-04-12T15:35:34,412 copying pele_platform/Examples/analysis/data/xtc/summary.csv -> build/lib/pele_platform/Examples/analysis/data/xtc 2021-04-12T15:35:34,419 creating build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-04-12T15:35:34,422 copying pele_platform/Examples/analysis/data/xtc/0/report_1 -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-04-12T15:35:34,428 copying pele_platform/Examples/analysis/data/xtc/0/report_2 -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-04-12T15:35:34,433 copying pele_platform/Examples/analysis/data/xtc/0/trajectory_1.xtc -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-04-12T15:35:34,439 copying pele_platform/Examples/analysis/data/xtc/0/trajectory_2.xtc -> build/lib/pele_platform/Examples/analysis/data/xtc/0 2021-04-12T15:35:34,445 creating build/lib/pele_platform/Examples/analysis/data/xtc/topologies 2021-04-12T15:35:34,448 copying pele_platform/Examples/analysis/data/xtc/topologies/topology_0.pdb -> build/lib/pele_platform/Examples/analysis/data/xtc/topologies 2021-04-12T15:35:34,465 creating build/lib/pele_platform/Examples/bias 2021-04-12T15:35:34,467 copying pele_platform/Examples/bias/complex.pdb -> build/lib/pele_platform/Examples/bias 2021-04-12T15:35:34,505 copying pele_platform/Examples/bias/input_defaults.yaml -> build/lib/pele_platform/Examples/bias 2021-04-12T15:35:34,512 creating build/lib/pele_platform/Examples/box 2021-04-12T15:35:34,514 copying pele_platform/Examples/box/input.yaml -> build/lib/pele_platform/Examples/box 2021-04-12T15:35:34,521 creating build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,524 copying pele_platform/Examples/checker/complex.pdb -> build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,573 copying pele_platform/Examples/checker/complex2.pdb -> build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,599 copying pele_platform/Examples/checker/complex_unk.yaml -> build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,664 copying pele_platform/Examples/checker/input.yaml -> build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,671 copying pele_platform/Examples/checker/input_atom_string.yaml -> build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,676 copying pele_platform/Examples/checker/input_env.yaml -> build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,681 copying pele_platform/Examples/checker/input_map_atom_num.yaml -> build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,686 copying pele_platform/Examples/checker/input_map_atom_str.yaml -> build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,691 copying pele_platform/Examples/checker/input_pele_exec.yaml -> build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,697 copying pele_platform/Examples/checker/input_rotamer.yaml -> build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,704 copying pele_platform/Examples/checker/input_space.yaml -> build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,711 copying pele_platform/Examples/checker/input_tab.yaml -> build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,717 copying pele_platform/Examples/checker/input_template.yaml -> build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,722 copying pele_platform/Examples/checker/input_underscore.yaml -> build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,727 copying pele_platform/Examples/checker/input_unk.yaml -> build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,732 copying pele_platform/Examples/checker/ligand2.pdb -> build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,739 copying pele_platform/Examples/checker/mapping_complex.pdb -> build/lib/pele_platform/Examples/checker 2021-04-12T15:35:34,806 creating build/lib/pele_platform/Examples/clustering 2021-04-12T15:35:34,808 copying pele_platform/Examples/clustering/summary.csv -> build/lib/pele_platform/Examples/clustering 2021-04-12T15:35:34,813 creating build/lib/pele_platform/Examples/clustering/0 2021-04-12T15:35:34,816 copying pele_platform/Examples/clustering/0/report_1 -> build/lib/pele_platform/Examples/clustering/0 2021-04-12T15:35:34,823 copying pele_platform/Examples/clustering/0/report_2 -> build/lib/pele_platform/Examples/clustering/0 2021-04-12T15:35:34,830 copying pele_platform/Examples/clustering/0/report_3 -> build/lib/pele_platform/Examples/clustering/0 2021-04-12T15:35:34,836 copying pele_platform/Examples/clustering/0/report_4 -> build/lib/pele_platform/Examples/clustering/0 2021-04-12T15:35:34,841 copying pele_platform/Examples/clustering/0/topologyMapping.txt -> build/lib/pele_platform/Examples/clustering/0 2021-04-12T15:35:34,846 copying pele_platform/Examples/clustering/0/trajectory_1.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-04-12T15:35:34,914 copying pele_platform/Examples/clustering/0/trajectory_2.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-04-12T15:35:34,952 copying pele_platform/Examples/clustering/0/trajectory_3.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-04-12T15:35:35,022 copying pele_platform/Examples/clustering/0/trajectory_4.pdb -> build/lib/pele_platform/Examples/clustering/0 2021-04-12T15:35:35,094 creating build/lib/pele_platform/Examples/clustering/0/clustering 2021-04-12T15:35:35,097 copying pele_platform/Examples/clustering/0/clustering/object.pkl -> build/lib/pele_platform/Examples/clustering/0/clustering 2021-04-12T15:35:35,323 copying pele_platform/Examples/clustering/0/clustering/summary.txt -> build/lib/pele_platform/Examples/clustering/0/clustering 2021-04-12T15:35:35,329 creating build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:35,332 copying pele_platform/Examples/constraints/1zop.pdb -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:35,362 copying pele_platform/Examples/constraints/4l3a_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:35,418 copying pele_platform/Examples/constraints/4qnr_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:35,836 copying pele_platform/Examples/constraints/4w4o_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:35,869 copying pele_platform/Examples/constraints/4w5i_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:35,902 copying pele_platform/Examples/constraints/4zu9_prep.pdb -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,012 copying pele_platform/Examples/constraints/ca_constraints.pdb -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,077 copying pele_platform/Examples/constraints/complex_smiles_error.pdb -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,120 copying pele_platform/Examples/constraints/fail_input_permissive_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,127 copying pele_platform/Examples/constraints/input_all_metal_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,133 copying pele_platform/Examples/constraints/input_ca_noppp.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,138 copying pele_platform/Examples/constraints/input_ca_ppp.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,143 copying pele_platform/Examples/constraints/input_constrain_smarts.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,148 copying pele_platform/Examples/constraints/input_constrain_smiles.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,152 copying pele_platform/Examples/constraints/input_external_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,158 copying pele_platform/Examples/constraints/input_ignore.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,165 copying pele_platform/Examples/constraints/input_k.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,171 copying pele_platform/Examples/constraints/input_metals.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,177 copying pele_platform/Examples/constraints/input_no_metal_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,182 copying pele_platform/Examples/constraints/input_permissive_exception.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,187 copying pele_platform/Examples/constraints/input_smiles_error.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,192 copying pele_platform/Examples/constraints/input_square_planar.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,198 copying pele_platform/Examples/constraints/input_square_planar_polarisation.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,204 copying pele_platform/Examples/constraints/input_tetrahedral.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,211 copying pele_platform/Examples/constraints/pass_input_permissive_constraints.yaml -> build/lib/pele_platform/Examples/constraints 2021-04-12T15:35:36,217 creating build/lib/pele_platform/Examples/enzyme_engineering 2021-04-12T15:35:36,219 copying pele_platform/Examples/enzyme_engineering/restart_saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering 2021-04-12T15:35:36,225 copying pele_platform/Examples/enzyme_engineering/saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering 2021-04-12T15:35:36,230 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-04-12T15:35:36,232 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/completed_mutations.log -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-04-12T15:35:36,237 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-04-12T15:35:36,240 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/ANL.mae -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-04-12T15:35:36,247 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/adaptive.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-04-12T15:35:36,254 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/pele.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-04-12T15:35:36,262 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/restart_saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-04-12T15:35:36,267 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal 2021-04-12T15:35:36,268 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-04-12T15:35:36,271 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs/ANL.rot.assign -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-04-12T15:35:36,276 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates 2021-04-12T15:35:36,277 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005 2021-04-12T15:35:36,279 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-04-12T15:35:36,283 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms/anlz -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-04-12T15:35:36,292 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-04-12T15:35:36,294 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454A.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-04-12T15:35:36,356 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454A_processed.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-04-12T15:35:36,418 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454D.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-04-12T15:35:36,482 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454D_processed.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-04-12T15:35:36,546 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/ligand.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-04-12T15:35:36,553 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/receptor.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-04-12T15:35:36,614 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-04-12T15:35:36,616 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/originalControlFile.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-04-12T15:35:36,624 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-04-12T15:35:36,627 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/topologyMapping.txt -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-04-12T15:35:36,634 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-04-12T15:35:36,636 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering/object.pkl -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-04-12T15:35:36,641 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering/summary.txt -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-04-12T15:35:36,646 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-04-12T15:35:36,648 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/report_1 -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-04-12T15:35:36,655 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/report_3 -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-04-12T15:35:36,662 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/trajectory_1.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-04-12T15:35:36,782 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/trajectory_3.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-04-12T15:35:36,901 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-04-12T15:35:36,903 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/report_2 -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-04-12T15:35:36,908 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/report_4 -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-04-12T15:35:36,913 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/trajectory_2.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-04-12T15:35:37,025 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/trajectory_4.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-04-12T15:35:37,142 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-04-12T15:35:37,144 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization/syncFile.lock -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-04-12T15:35:37,151 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-04-12T15:35:37,154 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topologies.pkl -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-04-12T15:35:37,262 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topology_0.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-04-12T15:35:37,326 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topology_1.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-04-12T15:35:37,389 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-04-12T15:35:37,392 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/controlFile0.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-04-12T15:35:37,402 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/initial_0_0.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-04-12T15:35:37,466 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/initial_0_1.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-04-12T15:35:37,529 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-04-12T15:35:37,532 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/ANL.mae -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-04-12T15:35:37,538 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/adaptive.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-04-12T15:35:37,543 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/pele.conf -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-04-12T15:35:37,549 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/restart_saturated_mutagenesis.yaml -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-04-12T15:35:37,555 creating build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-04-12T15:35:37,558 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/T454E.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-04-12T15:35:37,620 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/T454E_processed.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-04-12T15:35:37,682 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/ligand.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-04-12T15:35:37,689 copying pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/receptor.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-04-12T15:35:37,752 creating build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-04-12T15:35:37,755 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454A.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-04-12T15:35:37,817 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454D.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-04-12T15:35:37,881 copying pele_platform/Examples/enzyme_engineering/pdb_files/T454E.pdb -> build/lib/pele_platform/Examples/enzyme_engineering/pdb_files 2021-04-12T15:35:38,047 creating build/lib/pele_platform/Examples/exit 2021-04-12T15:35:38,050 copying pele_platform/Examples/exit/input.yaml -> build/lib/pele_platform/Examples/exit 2021-04-12T15:35:38,058 copying pele_platform/Examples/exit/input_defaults.yaml -> build/lib/pele_platform/Examples/exit 2021-04-12T15:35:38,064 creating build/lib/pele_platform/Examples/exit_soft 2021-04-12T15:35:38,067 copying pele_platform/Examples/exit_soft/input.yaml -> build/lib/pele_platform/Examples/exit_soft 2021-04-12T15:35:38,072 copying pele_platform/Examples/exit_soft/input_defaults.yaml -> build/lib/pele_platform/Examples/exit_soft 2021-04-12T15:35:38,078 creating build/lib/pele_platform/Examples/flags 2021-04-12T15:35:38,081 copying pele_platform/Examples/flags/input.yaml -> build/lib/pele_platform/Examples/flags 2021-04-12T15:35:38,089 creating build/lib/pele_platform/Examples/frag 2021-04-12T15:35:38,092 copying pele_platform/Examples/frag/1w7h_preparation_structure_2w.pdb -> build/lib/pele_platform/Examples/frag 2021-04-12T15:35:38,227 copying pele_platform/Examples/frag/1w7h_preparation_structure_2w_processed.pdb -> build/lib/pele_platform/Examples/frag 2021-04-12T15:35:38,279 copying pele_platform/Examples/frag/amino.pdb -> build/lib/pele_platform/Examples/frag 2021-04-12T15:35:38,287 copying pele_platform/Examples/frag/core.pdb -> build/lib/pele_platform/Examples/frag 2021-04-12T15:35:38,295 copying pele_platform/Examples/frag/flags.conf -> build/lib/pele_platform/Examples/frag 2021-04-12T15:35:38,303 copying pele_platform/Examples/frag/input_ai.yaml -> build/lib/pele_platform/Examples/frag 2021-04-12T15:35:38,310 copying pele_platform/Examples/frag/input_core.yaml -> build/lib/pele_platform/Examples/frag 2021-04-12T15:35:38,317 copying pele_platform/Examples/frag/input_core_sdf.yaml -> build/lib/pele_platform/Examples/frag 2021-04-12T15:35:38,323 copying pele_platform/Examples/frag/input_flags.yaml -> build/lib/pele_platform/Examples/frag 2021-04-12T15:35:38,329 copying pele_platform/Examples/frag/input_lib_pdb.yaml -> build/lib/pele_platform/Examples/frag 2021-04-12T15:35:38,334 copying pele_platform/Examples/frag/input_lib_sdf.yaml -> build/lib/pele_platform/Examples/frag 2021-04-12T15:35:38,341 copying pele_platform/Examples/frag/input_point_analysis.yaml -> build/lib/pele_platform/Examples/frag 2021-04-12T15:35:38,348 copying pele_platform/Examples/frag/input_sim.yaml -> build/lib/pele_platform/Examples/frag 2021-04-12T15:35:38,355 copying pele_platform/Examples/frag/input_symmetry.yaml -> build/lib/pele_platform/Examples/frag 2021-04-12T15:35:38,359 copying pele_platform/Examples/frag/ligands.sdf -> build/lib/pele_platform/Examples/frag 2021-04-12T15:35:38,365 copying pele_platform/Examples/frag/sequential.conf -> build/lib/pele_platform/Examples/frag 2021-04-12T15:35:38,371 creating build/lib/pele_platform/Examples/frag/analysis_data 2021-04-12T15:35:38,371 creating build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1 2021-04-12T15:35:38,373 creating build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-04-12T15:35:38,377 copying pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result/epochsampling_result_trajectory_1.1_BindingEnergy-23.4636.pdb -> build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-04-12T15:35:38,429 copying pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result/epochsampling_result_trajectory_2.1_BindingEnergy-25.1634.pdb -> build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-04-12T15:35:38,597 creating build/lib/pele_platform/Examples/frag/checker 2021-04-12T15:35:38,600 copying pele_platform/Examples/frag/checker/4RFM_proc.pdb -> build/lib/pele_platform/Examples/frag/checker 2021-04-12T15:35:38,607 copying pele_platform/Examples/frag/checker/4RFM_series.sdf -> build/lib/pele_platform/Examples/frag/checker 2021-04-12T15:35:38,614 copying pele_platform/Examples/frag/checker/receptor.sdf -> build/lib/pele_platform/Examples/frag/checker 2021-04-12T15:35:38,645 creating build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-04-12T15:35:38,647 copying pele_platform/Examples/frag/pdb_test_lib/mol1.pdb -> build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-04-12T15:35:38,654 copying pele_platform/Examples/frag/pdb_test_lib/mol2.pdb -> build/lib/pele_platform/Examples/frag/pdb_test_lib 2021-04-12T15:35:38,659 creating build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:38,661 copying pele_platform/Examples/frag/sdf_joiner/13_serie.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:38,675 copying pele_platform/Examples/frag/sdf_joiner/4RFM_core_sc.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:38,729 copying pele_platform/Examples/frag/sdf_joiner/4RFM_proc.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:38,781 copying pele_platform/Examples/frag/sdf_joiner/4RFM_series.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:38,791 copying pele_platform/Examples/frag/sdf_joiner/core2.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:38,833 copying pele_platform/Examples/frag/sdf_joiner/core3.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:38,850 copying pele_platform/Examples/frag/sdf_joiner/frag.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:38,858 copying pele_platform/Examples/frag/sdf_joiner/frag.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:38,866 copying pele_platform/Examples/frag/sdf_joiner/frag2.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:38,878 copying pele_platform/Examples/frag/sdf_joiner/frag2.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:38,883 copying pele_platform/Examples/frag/sdf_joiner/frag3.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:38,894 copying pele_platform/Examples/frag/sdf_joiner/frag3.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:38,899 copying pele_platform/Examples/frag/sdf_joiner/frag31.sdf -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:38,911 copying pele_platform/Examples/frag/sdf_joiner/frag4.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:38,917 copying pele_platform/Examples/frag/sdf_joiner/frag5.yml -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:38,923 copying pele_platform/Examples/frag/sdf_joiner/glide-dockSARS_core.pdb -> build/lib/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:39,107 creating build/lib/pele_platform/Examples/frag/sdf_test_lib 2021-04-12T15:35:39,111 copying pele_platform/Examples/frag/sdf_test_lib/test_library.sdf -> build/lib/pele_platform/Examples/frag/sdf_test_lib 2021-04-12T15:35:39,120 creating build/lib/pele_platform/Examples/global 2021-04-12T15:35:39,123 copying pele_platform/Examples/global/input.yaml -> build/lib/pele_platform/Examples/global 2021-04-12T15:35:39,130 copying pele_platform/Examples/global/input_defaults.yaml -> build/lib/pele_platform/Examples/global 2021-04-12T15:35:39,137 copying pele_platform/Examples/global/input_inputs.yaml -> build/lib/pele_platform/Examples/global 2021-04-12T15:35:39,272 copying pele_platform/Examples/global/input_inputs_asterisc.yaml -> build/lib/pele_platform/Examples/global 2021-04-12T15:35:39,280 creating build/lib/pele_platform/Examples/gpcr 2021-04-12T15:35:39,283 copying pele_platform/Examples/gpcr/complex.pdb -> build/lib/pele_platform/Examples/gpcr 2021-04-12T15:35:39,329 copying pele_platform/Examples/gpcr/complex_processed.pdb -> build/lib/pele_platform/Examples/gpcr 2021-04-12T15:35:39,374 copying pele_platform/Examples/gpcr/input.yaml -> build/lib/pele_platform/Examples/gpcr 2021-04-12T15:35:39,382 copying pele_platform/Examples/gpcr/input_atom_error.yaml -> build/lib/pele_platform/Examples/gpcr 2021-04-12T15:35:39,390 copying pele_platform/Examples/gpcr/input_defaults.yaml -> build/lib/pele_platform/Examples/gpcr 2021-04-12T15:35:39,398 copying pele_platform/Examples/gpcr/input_defaults2.yaml -> build/lib/pele_platform/Examples/gpcr 2021-04-12T15:35:39,405 creating build/lib/pele_platform/Examples/induced_fit 2021-04-12T15:35:39,408 copying pele_platform/Examples/induced_fit/input_exhaustive.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-04-12T15:35:39,417 copying pele_platform/Examples/induced_fit/input_exhaustive_defaults.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-04-12T15:35:39,425 copying pele_platform/Examples/induced_fit/input_fast.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-04-12T15:35:39,432 copying pele_platform/Examples/induced_fit/input_fast_defaults.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-04-12T15:35:39,439 copying pele_platform/Examples/induced_fit/input_mae.yaml -> build/lib/pele_platform/Examples/induced_fit 2021-04-12T15:35:39,446 creating build/lib/pele_platform/Examples/inputs 2021-04-12T15:35:39,450 copying pele_platform/Examples/inputs/input.yaml -> build/lib/pele_platform/Examples/inputs 2021-04-12T15:35:39,458 copying pele_platform/Examples/inputs/mn4.sl -> build/lib/pele_platform/Examples/inputs 2021-04-12T15:35:39,466 copying pele_platform/Examples/inputs/nord3.sge -> build/lib/pele_platform/Examples/inputs 2021-04-12T15:35:39,473 creating build/lib/pele_platform/Examples/interaction_restrictions 2021-04-12T15:35:39,476 copying pele_platform/Examples/interaction_restrictions/complex.pdb -> build/lib/pele_platform/Examples/interaction_restrictions 2021-04-12T15:35:39,618 copying pele_platform/Examples/interaction_restrictions/input.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-04-12T15:35:39,626 copying pele_platform/Examples/interaction_restrictions/input_error.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-04-12T15:35:39,633 copying pele_platform/Examples/interaction_restrictions/input_error_2.yaml -> build/lib/pele_platform/Examples/interaction_restrictions 2021-04-12T15:35:39,640 creating build/lib/pele_platform/Examples/interaction_restrictions/out 2021-04-12T15:35:39,643 copying pele_platform/Examples/interaction_restrictions/out/expected_conditions.txt -> build/lib/pele_platform/Examples/interaction_restrictions/out 2021-04-12T15:35:39,651 copying pele_platform/Examples/interaction_restrictions/out/expected_metrics.txt -> build/lib/pele_platform/Examples/interaction_restrictions/out 2021-04-12T15:35:39,658 creating build/lib/pele_platform/Examples/out_in 2021-04-12T15:35:39,661 copying pele_platform/Examples/out_in/1_3ZON_complex.pdb -> build/lib/pele_platform/Examples/out_in 2021-04-12T15:35:39,703 copying pele_platform/Examples/out_in/input.yaml -> build/lib/pele_platform/Examples/out_in 2021-04-12T15:35:39,711 copying pele_platform/Examples/out_in/input_default.yaml -> build/lib/pele_platform/Examples/out_in 2021-04-12T15:35:39,718 copying pele_platform/Examples/out_in/input_flag_error.yaml -> build/lib/pele_platform/Examples/out_in 2021-04-12T15:35:39,724 creating build/lib/pele_platform/Examples/pca 2021-04-12T15:35:39,727 copying pele_platform/Examples/pca/1.pdb -> build/lib/pele_platform/Examples/pca 2021-04-12T15:35:39,772 copying pele_platform/Examples/pca/2.pdb -> build/lib/pele_platform/Examples/pca 2021-04-12T15:35:39,814 copying pele_platform/Examples/pca/3.pdb -> build/lib/pele_platform/Examples/pca 2021-04-12T15:35:39,857 copying pele_platform/Examples/pca/input.yaml -> build/lib/pele_platform/Examples/pca 2021-04-12T15:35:39,865 copying pele_platform/Examples/pca/input_str.yaml -> build/lib/pele_platform/Examples/pca 2021-04-12T15:35:39,871 creating build/lib/pele_platform/Examples/preparation 2021-04-12T15:35:39,874 copying pele_platform/Examples/preparation/6qmk_correct.pdb -> build/lib/pele_platform/Examples/preparation 2021-04-12T15:35:40,018 copying pele_platform/Examples/preparation/6qmk_repeated.pdb -> build/lib/pele_platform/Examples/preparation 2021-04-12T15:35:40,077 copying pele_platform/Examples/preparation/complex.pdb -> build/lib/pele_platform/Examples/preparation 2021-04-12T15:35:40,116 copying pele_platform/Examples/preparation/complex_2.pdb -> build/lib/pele_platform/Examples/preparation 2021-04-12T15:35:40,179 copying pele_platform/Examples/preparation/input.yaml -> build/lib/pele_platform/Examples/preparation 2021-04-12T15:35:40,187 copying pele_platform/Examples/preparation/input_nonstandard.yaml -> build/lib/pele_platform/Examples/preparation 2021-04-12T15:35:40,194 copying pele_platform/Examples/preparation/input_space.yaml -> build/lib/pele_platform/Examples/preparation 2021-04-12T15:35:40,201 creating build/lib/pele_platform/Examples/production 2021-04-12T15:35:40,204 copying pele_platform/Examples/production/input.sl -> build/lib/pele_platform/Examples/production 2021-04-12T15:35:40,212 copying pele_platform/Examples/production/input_mae.yaml -> build/lib/pele_platform/Examples/production 2021-04-12T15:35:40,218 creating build/lib/pele_platform/Examples/rescoring 2021-04-12T15:35:40,221 copying pele_platform/Examples/rescoring/input.yaml -> build/lib/pele_platform/Examples/rescoring 2021-04-12T15:35:40,226 copying pele_platform/Examples/rescoring/input_defaults.yaml -> build/lib/pele_platform/Examples/rescoring 2021-04-12T15:35:40,231 creating build/lib/pele_platform/Examples/restart 2021-04-12T15:35:40,233 copying pele_platform/Examples/restart/input.yaml -> build/lib/pele_platform/Examples/restart 2021-04-12T15:35:40,238 creating build/lib/pele_platform/Examples/site_finder 2021-04-12T15:35:40,240 copying pele_platform/Examples/site_finder/complex.pdb -> build/lib/pele_platform/Examples/site_finder 2021-04-12T15:35:40,289 copying pele_platform/Examples/site_finder/input_folder.yaml -> build/lib/pele_platform/Examples/site_finder 2021-04-12T15:35:40,295 copying pele_platform/Examples/site_finder/input_global.yaml -> build/lib/pele_platform/Examples/site_finder 2021-04-12T15:35:40,302 copying pele_platform/Examples/site_finder/input_global_xtc.yaml -> build/lib/pele_platform/Examples/site_finder 2021-04-12T15:35:40,309 copying pele_platform/Examples/site_finder/input_restart.yaml -> build/lib/pele_platform/Examples/site_finder 2021-04-12T15:35:40,316 copying pele_platform/Examples/site_finder/input_skipref.yaml -> build/lib/pele_platform/Examples/site_finder 2021-04-12T15:35:40,323 creating build/lib/pele_platform/Examples/tutorials 2021-04-12T15:35:40,324 creating build/lib/pele_platform/Examples/tutorials/gpcr 2021-04-12T15:35:40,327 copying pele_platform/Examples/tutorials/gpcr/complex.pdb -> build/lib/pele_platform/Examples/tutorials/gpcr 2021-04-12T15:35:40,373 copying pele_platform/Examples/tutorials/gpcr/input.yaml -> build/lib/pele_platform/Examples/tutorials/gpcr 2021-04-12T15:35:40,381 creating build/lib/pele_platform/Examples/tutorials/induced_fit 2021-04-12T15:35:40,384 copying pele_platform/Examples/tutorials/induced_fit/docking.pdb -> build/lib/pele_platform/Examples/tutorials/induced_fit 2021-04-12T15:35:40,451 copying pele_platform/Examples/tutorials/induced_fit/input.yaml -> build/lib/pele_platform/Examples/tutorials/induced_fit 2021-04-12T15:35:40,455 creating build/lib/pele_platform/Examples/tutorials/ppi 2021-04-12T15:35:40,458 copying pele_platform/Examples/tutorials/ppi/4yy6_ligand.pdb -> build/lib/pele_platform/Examples/tutorials/ppi 2021-04-12T15:35:40,464 copying pele_platform/Examples/tutorials/ppi/4yy6_prep.pdb -> build/lib/pele_platform/Examples/tutorials/ppi 2021-04-12T15:35:40,489 copying pele_platform/Examples/tutorials/ppi/input.yaml -> build/lib/pele_platform/Examples/tutorials/ppi 2021-04-12T15:35:40,494 creating build/lib/pele_platform/Examples/water 2021-04-12T15:35:40,496 copying pele_platform/Examples/water/complex_induced.pdb -> build/lib/pele_platform/Examples/water 2021-04-12T15:35:40,516 copying pele_platform/Examples/water/complex_ref_LESSH2O.pdb -> build/lib/pele_platform/Examples/water 2021-04-12T15:35:40,565 copying pele_platform/Examples/water/input_all.yaml -> build/lib/pele_platform/Examples/water 2021-04-12T15:35:40,572 copying pele_platform/Examples/water/input_bs.yaml -> build/lib/pele_platform/Examples/water 2021-04-12T15:35:40,579 copying pele_platform/Examples/water/input_bs_defaults.yaml -> build/lib/pele_platform/Examples/water 2021-04-12T15:35:40,586 copying pele_platform/Examples/water/input_induced.yaml -> build/lib/pele_platform/Examples/water 2021-04-12T15:35:40,591 copying pele_platform/Examples/water/input_lig.yaml -> build/lib/pele_platform/Examples/water 2021-04-12T15:35:40,596 copying pele_platform/Examples/water/input_lig_defaults.yaml -> build/lib/pele_platform/Examples/water 2021-04-12T15:35:40,602 copying pele_platform/Examples/water/input_nwaters.yaml -> build/lib/pele_platform/Examples/water 2021-04-12T15:35:40,607 copying pele_platform/Examples/water/input_previous_water.yaml -> build/lib/pele_platform/Examples/water 2021-04-12T15:35:40,614 copying pele_platform/Examples/water/water_processed.pdb -> build/lib/pele_platform/Examples/water 2021-04-12T15:35:40,665 creating build/lib/pele_platform/Templates 2021-04-12T15:35:40,668 copying pele_platform/Templates/pele_template.conf -> build/lib/pele_platform/Templates 2021-04-12T15:35:40,676 copying pele_platform/Templates/solventParamsHCTOBC.txt -> build/lib/pele_platform/Templates 2021-04-12T15:35:40,690 copying pele_platform/Templates/template_adaptive.conf -> build/lib/pele_platform/Templates 2021-04-12T15:35:40,741 UPDATING build/lib/pele_platform/_version.py 2021-04-12T15:35:40,743 set build/lib/pele_platform/_version.py to '1.6.0b3' 2021-04-12T15:35:40,750 installing to build/bdist.linux-armv7l/wheel 2021-04-12T15:35:40,751 running install 2021-04-12T15:35:40,753 running install_lib 2021-04-12T15:35:40,761 creating build/bdist.linux-armv7l 2021-04-12T15:35:40,762 creating build/bdist.linux-armv7l/wheel 2021-04-12T15:35:40,766 creating build/bdist.linux-armv7l/wheel/pele_platform 2021-04-12T15:35:40,769 creating build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-04-12T15:35:40,772 copying build/lib/pele_platform/PPI/preparation.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-04-12T15:35:40,776 copying build/lib/pele_platform/PPI/simulation_launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-04-12T15:35:40,780 copying build/lib/pele_platform/PPI/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-04-12T15:35:40,785 copying build/lib/pele_platform/PPI/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-04-12T15:35:40,788 copying build/lib/pele_platform/PPI/cluster.py -> build/bdist.linux-armv7l/wheel/pele_platform/PPI 2021-04-12T15:35:40,795 creating build/bdist.linux-armv7l/wheel/pele_platform/features 2021-04-12T15:35:40,797 copying build/lib/pele_platform/features/frag.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-04-12T15:35:40,803 copying build/lib/pele_platform/features/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-04-12T15:35:40,808 copying build/lib/pele_platform/features/adaptive.py -> build/bdist.linux-armv7l/wheel/pele_platform/features 2021-04-12T15:35:40,816 creating build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-04-12T15:35:40,818 copying build/lib/pele_platform/Checker/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-04-12T15:35:40,825 copying build/lib/pele_platform/Checker/executable.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-04-12T15:35:40,830 copying build/lib/pele_platform/Checker/valid_flags.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-04-12T15:35:40,837 copying build/lib/pele_platform/Checker/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-04-12T15:35:40,841 copying build/lib/pele_platform/Checker/environment_variables.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-04-12T15:35:40,847 copying build/lib/pele_platform/Checker/python_version.py -> build/bdist.linux-armv7l/wheel/pele_platform/Checker 2021-04-12T15:35:40,854 creating build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-12T15:35:40,856 copying build/lib/pele_platform/Adaptive/ligand_parametrization.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-12T15:35:40,863 copying build/lib/pele_platform/Adaptive/solvent.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-12T15:35:40,868 copying build/lib/pele_platform/Adaptive/metrics.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-12T15:35:40,874 copying build/lib/pele_platform/Adaptive/pca.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-12T15:35:40,880 copying build/lib/pele_platform/Adaptive/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-12T15:35:40,888 copying build/lib/pele_platform/Adaptive/interaction_restrictions.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-12T15:35:40,895 copying build/lib/pele_platform/Adaptive/box.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-12T15:35:40,901 copying build/lib/pele_platform/Adaptive/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Adaptive 2021-04-12T15:35:40,907 creating build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-12T15:35:40,910 copying build/lib/pele_platform/Frag/libraries.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-12T15:35:40,918 copying build/lib/pele_platform/Frag/atoms.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-12T15:35:40,923 copying build/lib/pele_platform/Frag/helpers.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-12T15:35:40,929 copying build/lib/pele_platform/Frag/fragments.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-12T15:35:40,937 creating build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-04-12T15:35:40,939 copying build/lib/pele_platform/Frag/parameters/water.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-04-12T15:35:40,945 copying build/lib/pele_platform/Frag/parameters/optional.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-04-12T15:35:40,951 copying build/lib/pele_platform/Frag/parameters/metrics.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-04-12T15:35:40,956 copying build/lib/pele_platform/Frag/parameters/files.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-04-12T15:35:40,960 copying build/lib/pele_platform/Frag/parameters/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-04-12T15:35:40,964 copying build/lib/pele_platform/Frag/parameters/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag/parameters 2021-04-12T15:35:40,968 copying build/lib/pele_platform/Frag/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-12T15:35:40,974 copying build/lib/pele_platform/Frag/checker.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-12T15:35:40,980 copying build/lib/pele_platform/Frag/analysis.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-12T15:35:40,986 copying build/lib/pele_platform/Frag/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-12T15:35:40,991 copying build/lib/pele_platform/Frag/generative_model.py -> build/bdist.linux-armv7l/wheel/pele_platform/Frag 2021-04-12T15:35:40,998 creating build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-04-12T15:35:41,000 copying build/lib/pele_platform/Templates/pele_template.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-04-12T15:35:41,007 copying build/lib/pele_platform/Templates/template_adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-04-12T15:35:41,012 copying build/lib/pele_platform/Templates/solventParamsHCTOBC.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Templates 2021-04-12T15:35:41,026 creating build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-04-12T15:35:41,028 copying build/lib/pele_platform/constants/constants.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-04-12T15:35:41,036 copying build/lib/pele_platform/constants/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-04-12T15:35:41,041 copying build/lib/pele_platform/constants/pele_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/constants 2021-04-12T15:35:41,049 creating build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-12T15:35:41,052 copying build/lib/pele_platform/analysis/interactive_plot.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-12T15:35:41,059 copying build/lib/pele_platform/analysis/plot.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-12T15:35:41,065 copying build/lib/pele_platform/analysis/pdf_report.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-12T15:35:41,069 copying build/lib/pele_platform/analysis/data.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-12T15:35:41,077 copying build/lib/pele_platform/analysis/clustering.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-12T15:35:41,084 copying build/lib/pele_platform/analysis/analysis.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-12T15:35:41,096 copying build/lib/pele_platform/analysis/to_mae.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-12T15:35:41,102 copying build/lib/pele_platform/analysis/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/analysis 2021-04-12T15:35:41,109 creating build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-04-12T15:35:41,111 copying build/lib/pele_platform/out_in/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-04-12T15:35:41,117 copying build/lib/pele_platform/out_in/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/out_in 2021-04-12T15:35:41,123 creating build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-04-12T15:35:41,125 copying build/lib/pele_platform/RNA/prep.py -> build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-04-12T15:35:41,132 copying build/lib/pele_platform/RNA/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/RNA 2021-04-12T15:35:41,136 copying build/lib/pele_platform/_version.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-04-12T15:35:41,142 creating build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-04-12T15:35:41,144 copying build/lib/pele_platform/Errors/custom_errors.py -> build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-04-12T15:35:41,149 copying build/lib/pele_platform/Errors/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Errors 2021-04-12T15:35:41,153 copying build/lib/pele_platform/main.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-04-12T15:35:41,160 creating build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-04-12T15:35:41,163 copying build/lib/pele_platform/gpcr/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-04-12T15:35:41,171 copying build/lib/pele_platform/gpcr/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/gpcr 2021-04-12T15:35:41,175 copying build/lib/pele_platform/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform 2021-04-12T15:35:41,184 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities 2021-04-12T15:35:41,189 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-04-12T15:35:41,193 copying build/lib/pele_platform/Utilities/Parameters/parameters.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-04-12T15:35:41,203 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-04-12T15:35:41,206 copying build/lib/pele_platform/Utilities/Parameters/SimulationFolders/simulation_folders.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-04-12T15:35:41,213 copying build/lib/pele_platform/Utilities/Parameters/SimulationFolders/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationFolders 2021-04-12T15:35:41,219 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-04-12T15:35:41,224 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-04-12T15:35:41,227 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams/bias_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-04-12T15:35:41,233 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/BiasParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/BiasParams 2021-04-12T15:35:41,240 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-04-12T15:35:41,242 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI/ppi.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-04-12T15:35:41,246 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PPI/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PPI 2021-04-12T15:35:41,251 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-04-12T15:35:41,253 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA/pca.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-04-12T15:35:41,258 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/PCA/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/PCA 2021-04-12T15:35:41,265 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-04-12T15:35:41,267 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams/inout_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-04-12T15:35:41,274 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/InOutParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/InOutParams 2021-04-12T15:35:41,281 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-04-12T15:35:41,284 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams/glide_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-04-12T15:35:41,290 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/GlideParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/GlideParams 2021-04-12T15:35:41,296 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-04-12T15:35:41,299 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams/msm_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-04-12T15:35:41,305 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/MSMParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/MSMParams 2021-04-12T15:35:41,309 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/simulation_params.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-04-12T15:35:41,316 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams 2021-04-12T15:35:41,320 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-04-12T15:35:41,323 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder/site_finder.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-04-12T15:35:41,330 copying build/lib/pele_platform/Utilities/Parameters/SimulationParams/site_finder/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters/SimulationParams/site_finder 2021-04-12T15:35:41,335 copying build/lib/pele_platform/Utilities/Parameters/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Parameters 2021-04-12T15:35:41,343 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,346 copying build/lib/pele_platform/Utilities/Helpers/water.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,354 copying build/lib/pele_platform/Utilities/Helpers/system_prep.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,361 copying build/lib/pele_platform/Utilities/Helpers/launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,367 copying build/lib/pele_platform/Utilities/Helpers/interaction_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,373 copying build/lib/pele_platform/Utilities/Helpers/center_of_mass.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,380 copying build/lib/pele_platform/Utilities/Helpers/helpers.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,387 copying build/lib/pele_platform/Utilities/Helpers/calculatePCA4PELE.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,396 copying build/lib/pele_platform/Utilities/Helpers/plop_launcher.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,402 copying build/lib/pele_platform/Utilities/Helpers/yaml_parser.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,410 copying build/lib/pele_platform/Utilities/Helpers/protein_wizard.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,416 copying build/lib/pele_platform/Utilities/Helpers/simulation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,423 copying build/lib/pele_platform/Utilities/Helpers/conda_deployment.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,428 copying build/lib/pele_platform/Utilities/Helpers/randomize.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,435 copying build/lib/pele_platform/Utilities/Helpers/missing_residues.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,441 copying build/lib/pele_platform/Utilities/Helpers/bestStructs.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,448 copying build/lib/pele_platform/Utilities/Helpers/template_builder.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,454 copying build/lib/pele_platform/Utilities/Helpers/solventOBCParamsGenerator.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,461 copying build/lib/pele_platform/Utilities/Helpers/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,468 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-04-12T15:35:41,471 copying build/lib/pele_platform/Utilities/Helpers/constraints/smiles_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-04-12T15:35:41,478 copying build/lib/pele_platform/Utilities/Helpers/constraints/alpha_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-04-12T15:35:41,485 copying build/lib/pele_platform/Utilities/Helpers/constraints/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/constraints 2021-04-12T15:35:41,492 creating build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-04-12T15:35:41,495 copying build/lib/pele_platform/Utilities/Helpers/Metals/metal_polarisation.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-04-12T15:35:41,501 copying build/lib/pele_platform/Utilities/Helpers/Metals/metal_constraints.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-04-12T15:35:41,508 copying build/lib/pele_platform/Utilities/Helpers/Metals/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers/Metals 2021-04-12T15:35:41,513 copying build/lib/pele_platform/Utilities/Helpers/map_atoms.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities/Helpers 2021-04-12T15:35:41,520 copying build/lib/pele_platform/Utilities/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/Utilities 2021-04-12T15:35:41,526 creating build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-04-12T15:35:41,529 copying build/lib/pele_platform/site_finder/main.py -> build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-04-12T15:35:41,536 copying build/lib/pele_platform/site_finder/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/site_finder 2021-04-12T15:35:41,544 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples 2021-04-12T15:35:41,549 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-04-12T15:35:41,552 copying build/lib/pele_platform/Examples/PPI/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-04-12T15:35:41,558 copying build/lib/pele_platform/Examples/PPI/1tnf_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-04-12T15:35:41,565 copying build/lib/pele_platform/Examples/PPI/1f47_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-04-12T15:35:41,590 copying build/lib/pele_platform/Examples/PPI/1f47_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-04-12T15:35:41,597 copying build/lib/pele_platform/Examples/PPI/input_folder.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-04-12T15:35:41,602 copying build/lib/pele_platform/Examples/PPI/1tnf_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-04-12T15:35:41,665 copying build/lib/pele_platform/Examples/PPI/input_skipref.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/PPI 2021-04-12T15:35:41,672 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-04-12T15:35:41,675 copying build/lib/pele_platform/Examples/production/input.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-04-12T15:35:41,681 copying build/lib/pele_platform/Examples/production/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/production 2021-04-12T15:35:41,688 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-12T15:35:41,691 copying build/lib/pele_platform/Examples/water/input_nwaters.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-12T15:35:41,697 copying build/lib/pele_platform/Examples/water/input_bs.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-12T15:35:41,703 copying build/lib/pele_platform/Examples/water/input_lig_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-12T15:35:41,709 copying build/lib/pele_platform/Examples/water/water_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-12T15:35:41,759 copying build/lib/pele_platform/Examples/water/complex_ref_LESSH2O.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-12T15:35:41,806 copying build/lib/pele_platform/Examples/water/input_bs_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-12T15:35:41,810 copying build/lib/pele_platform/Examples/water/input_induced.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-12T15:35:41,816 copying build/lib/pele_platform/Examples/water/complex_induced.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-12T15:35:41,835 copying build/lib/pele_platform/Examples/water/input_lig.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-12T15:35:41,841 copying build/lib/pele_platform/Examples/water/input_previous_water.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-12T15:35:41,847 copying build/lib/pele_platform/Examples/water/input_all.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/water 2021-04-12T15:35:41,853 copying build/lib/pele_platform/Examples/test.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples 2021-04-12T15:35:41,861 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-04-12T15:35:41,863 copying build/lib/pele_platform/Examples/rescoring/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-04-12T15:35:41,869 copying build/lib/pele_platform/Examples/rescoring/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/rescoring 2021-04-12T15:35:41,877 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-04-12T15:35:41,880 copying build/lib/pele_platform/Examples/preparation/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-04-12T15:35:41,886 copying build/lib/pele_platform/Examples/preparation/input_space.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-04-12T15:35:41,892 copying build/lib/pele_platform/Examples/preparation/6qmk_correct.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-04-12T15:35:41,941 copying build/lib/pele_platform/Examples/preparation/input_nonstandard.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-04-12T15:35:41,947 copying build/lib/pele_platform/Examples/preparation/6qmk_repeated.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-04-12T15:35:42,004 copying build/lib/pele_platform/Examples/preparation/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-04-12T15:35:42,042 copying build/lib/pele_platform/Examples/preparation/complex_2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/preparation 2021-04-12T15:35:42,105 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-04-12T15:35:42,107 copying build/lib/pele_platform/Examples/pca/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-04-12T15:35:42,114 copying build/lib/pele_platform/Examples/pca/3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-04-12T15:35:42,156 copying build/lib/pele_platform/Examples/pca/1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-04-12T15:35:42,196 copying build/lib/pele_platform/Examples/pca/input_str.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-04-12T15:35:42,202 copying build/lib/pele_platform/Examples/pca/2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/pca 2021-04-12T15:35:42,244 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-04-12T15:35:42,246 copying build/lib/pele_platform/Examples/global/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-04-12T15:35:42,251 copying build/lib/pele_platform/Examples/global/input_inputs_asterisc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-04-12T15:35:42,255 copying build/lib/pele_platform/Examples/global/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-04-12T15:35:42,260 copying build/lib/pele_platform/Examples/global/input_inputs.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/global 2021-04-12T15:35:42,268 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/flags 2021-04-12T15:35:42,270 copying build/lib/pele_platform/Examples/flags/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/flags 2021-04-12T15:35:42,279 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-04-12T15:35:42,281 copying build/lib/pele_platform/Examples/Adaptive/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-04-12T15:35:42,286 copying build/lib/pele_platform/Examples/Adaptive/test.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-04-12T15:35:42,291 copying build/lib/pele_platform/Examples/Adaptive/STR.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-04-12T15:35:42,295 copying build/lib/pele_platform/Examples/Adaptive/pele_file_4Adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-04-12T15:35:42,301 copying build/lib/pele_platform/Examples/Adaptive/strz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Adaptive 2021-04-12T15:35:42,314 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-04-12T15:35:42,317 copying build/lib/pele_platform/Examples/induced_fit/input_fast_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-04-12T15:35:42,322 copying build/lib/pele_platform/Examples/induced_fit/input_fast.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-04-12T15:35:42,327 copying build/lib/pele_platform/Examples/induced_fit/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-04-12T15:35:42,332 copying build/lib/pele_platform/Examples/induced_fit/input_exhaustive.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-04-12T15:35:42,336 copying build/lib/pele_platform/Examples/induced_fit/input_exhaustive_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/induced_fit 2021-04-12T15:35:42,342 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-04-12T15:35:42,345 copying build/lib/pele_platform/Examples/interaction_restrictions/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-04-12T15:35:42,351 copying build/lib/pele_platform/Examples/interaction_restrictions/input_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-04-12T15:35:42,359 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-04-12T15:35:42,361 copying build/lib/pele_platform/Examples/interaction_restrictions/out/expected_metrics.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-04-12T15:35:42,366 copying build/lib/pele_platform/Examples/interaction_restrictions/out/expected_conditions.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions/out 2021-04-12T15:35:42,371 copying build/lib/pele_platform/Examples/interaction_restrictions/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-04-12T15:35:42,434 copying build/lib/pele_platform/Examples/interaction_restrictions/input_error_2.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/interaction_restrictions 2021-04-12T15:35:42,439 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-04-12T15:35:42,442 copying build/lib/pele_platform/Examples/analysis/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-04-12T15:35:42,449 copying build/lib/pele_platform/Examples/analysis/input_xtc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-04-12T15:35:42,455 copying build/lib/pele_platform/Examples/analysis/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-04-12T15:35:42,461 copying build/lib/pele_platform/Examples/analysis/input_flags0.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis 2021-04-12T15:35:42,469 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-12T15:35:42,472 copying build/lib/pele_platform/Examples/analysis/data/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-12T15:35:42,479 copying build/lib/pele_platform/Examples/analysis/data/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-12T15:35:42,487 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output 2021-04-12T15:35:42,491 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/synchronization 2021-04-12T15:35:42,495 copying build/lib/pele_platform/Examples/analysis/data/output/synchronization/syncFile.lock -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/synchronization 2021-04-12T15:35:42,503 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-04-12T15:35:42,506 copying build/lib/pele_platform/Examples/analysis/data/output/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-04-12T15:35:42,512 copying build/lib/pele_platform/Examples/analysis/data/output/0/trajectory_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-04-12T15:35:42,552 copying build/lib/pele_platform/Examples/analysis/data/output/0/topologyMapping.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0 2021-04-12T15:35:42,559 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0/clustering 2021-04-12T15:35:42,562 copying build/lib/pele_platform/Examples/analysis/data/output/0/clustering/object.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0/clustering 2021-04-12T15:35:42,603 copying build/lib/pele_platform/Examples/analysis/data/output/0/clustering/summary.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/0/clustering 2021-04-12T15:35:42,608 copying build/lib/pele_platform/Examples/analysis/data/output/originalControlFile.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output 2021-04-12T15:35:42,616 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/topologies 2021-04-12T15:35:42,618 copying build/lib/pele_platform/Examples/analysis/data/output/topologies/topologies.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/topologies 2021-04-12T15:35:42,653 copying build/lib/pele_platform/Examples/analysis/data/output/topologies/topology_0.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/output/topologies 2021-04-12T15:35:42,689 copying build/lib/pele_platform/Examples/analysis/data/mgz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-12T15:35:42,692 copying build/lib/pele_platform/Examples/analysis/data/pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-12T15:35:42,696 copying build/lib/pele_platform/Examples/analysis/data/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-12T15:35:42,701 copying build/lib/pele_platform/Examples/analysis/data/STR.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-12T15:35:42,704 copying build/lib/pele_platform/Examples/analysis/data/input_flags0.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-12T15:35:42,709 copying build/lib/pele_platform/Examples/analysis/data/input_mae.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-12T15:35:42,715 copying build/lib/pele_platform/Examples/analysis/data/MG.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-12T15:35:42,721 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc 2021-04-12T15:35:42,724 copying build/lib/pele_platform/Examples/analysis/data/xtc/summary.csv -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc 2021-04-12T15:35:42,730 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-04-12T15:35:42,732 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-04-12T15:35:42,736 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-04-12T15:35:42,740 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/trajectory_2.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-04-12T15:35:42,746 copying build/lib/pele_platform/Examples/analysis/data/xtc/0/trajectory_1.xtc -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/0 2021-04-12T15:35:42,754 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/topologies 2021-04-12T15:35:42,756 copying build/lib/pele_platform/Examples/analysis/data/xtc/topologies/topology_0.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/xtc/topologies 2021-04-12T15:35:42,772 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-04-12T15:35:42,774 copying build/lib/pele_platform/Examples/analysis/data/inputs/input1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-04-12T15:35:42,811 copying build/lib/pele_platform/Examples/analysis/data/inputs/input3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-04-12T15:35:42,848 copying build/lib/pele_platform/Examples/analysis/data/inputs/input2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data/inputs 2021-04-12T15:35:42,886 copying build/lib/pele_platform/Examples/analysis/data/strz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/analysis/data 2021-04-12T15:35:42,891 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-04-12T15:35:42,893 copying build/lib/pele_platform/Examples/exit/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-04-12T15:35:42,898 copying build/lib/pele_platform/Examples/exit/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit 2021-04-12T15:35:42,903 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-04-12T15:35:42,904 copying build/lib/pele_platform/Examples/out_in/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-04-12T15:35:42,910 copying build/lib/pele_platform/Examples/out_in/input_flag_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-04-12T15:35:42,915 copying build/lib/pele_platform/Examples/out_in/1_3ZON_complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-04-12T15:35:42,956 copying build/lib/pele_platform/Examples/out_in/input_default.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/out_in 2021-04-12T15:35:42,965 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/box 2021-04-12T15:35:42,969 copying build/lib/pele_platform/Examples/box/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/box 2021-04-12T15:35:42,980 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-12T15:35:42,984 copying build/lib/pele_platform/Examples/frag/1w7h_preparation_structure_2w.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-12T15:35:43,034 copying build/lib/pele_platform/Examples/frag/input_point_analysis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-12T15:35:43,041 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:43,044 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag3.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:43,050 copying build/lib/pele_platform/Examples/frag/sdf_joiner/glide-dockSARS_core.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:43,129 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag31.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:43,140 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_series.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:43,148 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag2.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:43,159 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag3.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:43,169 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag4.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:43,174 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:43,180 copying build/lib/pele_platform/Examples/frag/sdf_joiner/core3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:43,198 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:43,247 copying build/lib/pele_platform/Examples/frag/sdf_joiner/4RFM_core_sc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:43,298 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag2.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:43,302 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag5.yml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:43,306 copying build/lib/pele_platform/Examples/frag/sdf_joiner/frag.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:43,313 copying build/lib/pele_platform/Examples/frag/sdf_joiner/13_serie.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:43,325 copying build/lib/pele_platform/Examples/frag/sdf_joiner/core2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_joiner 2021-04-12T15:35:43,364 copying build/lib/pele_platform/Examples/frag/input_lib_pdb.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-12T15:35:43,369 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-04-12T15:35:43,371 copying build/lib/pele_platform/Examples/frag/pdb_test_lib/mol2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-04-12T15:35:43,376 copying build/lib/pele_platform/Examples/frag/pdb_test_lib/mol1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/pdb_test_lib 2021-04-12T15:35:43,382 copying build/lib/pele_platform/Examples/frag/1w7h_preparation_structure_2w_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-12T15:35:43,433 copying build/lib/pele_platform/Examples/frag/input_ai.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-12T15:35:43,439 copying build/lib/pele_platform/Examples/frag/sequential.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-12T15:35:43,444 copying build/lib/pele_platform/Examples/frag/input_flags.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-12T15:35:43,451 copying build/lib/pele_platform/Examples/frag/amino.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-12T15:35:43,456 copying build/lib/pele_platform/Examples/frag/input_symmetry.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-12T15:35:43,462 copying build/lib/pele_platform/Examples/frag/ligands.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-12T15:35:43,468 copying build/lib/pele_platform/Examples/frag/core.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-12T15:35:43,476 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-04-12T15:35:43,478 copying build/lib/pele_platform/Examples/frag/checker/4RFM_series.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-04-12T15:35:43,486 copying build/lib/pele_platform/Examples/frag/checker/receptor.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-04-12T15:35:43,517 copying build/lib/pele_platform/Examples/frag/checker/4RFM_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/checker 2021-04-12T15:35:43,523 copying build/lib/pele_platform/Examples/frag/flags.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-12T15:35:43,528 copying build/lib/pele_platform/Examples/frag/input_lib_sdf.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-12T15:35:43,534 copying build/lib/pele_platform/Examples/frag/input_sim.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-12T15:35:43,541 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data 2021-04-12T15:35:43,546 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1 2021-04-12T15:35:43,551 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-04-12T15:35:43,554 copying build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result/epochsampling_result_trajectory_1.1_BindingEnergy-23.4636.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-04-12T15:35:43,607 copying build/lib/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result/epochsampling_result_trajectory_2.1_BindingEnergy-25.1634.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/analysis_data/1w7h_preparation_structure_2w_processed_mol1C3-H2C1-H1/top_result 2021-04-12T15:35:43,660 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_test_lib 2021-04-12T15:35:43,663 copying build/lib/pele_platform/Examples/frag/sdf_test_lib/test_library.sdf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag/sdf_test_lib 2021-04-12T15:35:43,669 copying build/lib/pele_platform/Examples/frag/input_core_sdf.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-12T15:35:43,674 copying build/lib/pele_platform/Examples/frag/input_core.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/frag 2021-04-12T15:35:43,682 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-04-12T15:35:43,684 copying build/lib/pele_platform/Examples/RNA/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-04-12T15:35:43,689 copying build/lib/pele_platform/Examples/RNA/5C45_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-04-12T15:35:43,730 copying build/lib/pele_platform/Examples/RNA/2l94.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-04-12T15:35:43,735 copying build/lib/pele_platform/Examples/RNA/5C45_prep_proc.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-04-12T15:35:43,778 copying build/lib/pele_platform/Examples/RNA/input_induced.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/RNA 2021-04-12T15:35:43,785 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:43,788 copying build/lib/pele_platform/Examples/checker/complex2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:43,815 copying build/lib/pele_platform/Examples/checker/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:43,820 copying build/lib/pele_platform/Examples/checker/input_space.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:43,827 copying build/lib/pele_platform/Examples/checker/input_tab.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:43,833 copying build/lib/pele_platform/Examples/checker/input_atom_string.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:43,838 copying build/lib/pele_platform/Examples/checker/input_template.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:43,845 copying build/lib/pele_platform/Examples/checker/input_underscore.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:43,851 copying build/lib/pele_platform/Examples/checker/input_rotamer.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:43,856 copying build/lib/pele_platform/Examples/checker/input_pele_exec.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:43,861 copying build/lib/pele_platform/Examples/checker/input_env.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:43,867 copying build/lib/pele_platform/Examples/checker/input_unk.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:43,871 copying build/lib/pele_platform/Examples/checker/ligand2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:43,876 copying build/lib/pele_platform/Examples/checker/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:43,921 copying build/lib/pele_platform/Examples/checker/input_map_atom_num.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:43,927 copying build/lib/pele_platform/Examples/checker/complex_unk.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:43,994 copying build/lib/pele_platform/Examples/checker/mapping_complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:44,060 copying build/lib/pele_platform/Examples/checker/input_map_atom_str.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/checker 2021-04-12T15:35:44,066 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials 2021-04-12T15:35:44,072 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-04-12T15:35:44,076 copying build/lib/pele_platform/Examples/tutorials/induced_fit/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-04-12T15:35:44,084 copying build/lib/pele_platform/Examples/tutorials/induced_fit/docking.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/induced_fit 2021-04-12T15:35:44,151 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-04-12T15:35:44,156 copying build/lib/pele_platform/Examples/tutorials/gpcr/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-04-12T15:35:44,163 copying build/lib/pele_platform/Examples/tutorials/gpcr/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/gpcr 2021-04-12T15:35:44,308 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-04-12T15:35:44,312 copying build/lib/pele_platform/Examples/tutorials/ppi/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-04-12T15:35:44,319 copying build/lib/pele_platform/Examples/tutorials/ppi/4yy6_ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-04-12T15:35:44,326 copying build/lib/pele_platform/Examples/tutorials/ppi/4yy6_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/tutorials/ppi 2021-04-12T15:35:44,353 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-04-12T15:35:44,357 copying build/lib/pele_platform/Examples/Msm/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-04-12T15:35:44,364 copying build/lib/pele_platform/Examples/Msm/PR_AS4.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-04-12T15:35:44,404 copying build/lib/pele_platform/Examples/Msm/PR_1A28_protein.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-04-12T15:35:44,546 copying build/lib/pele_platform/Examples/Msm/PR_1A28_xray_-_minimized_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-04-12T15:35:44,584 copying build/lib/pele_platform/Examples/Msm/PR_1A28_xray_-_minimized.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-04-12T15:35:44,623 copying build/lib/pele_platform/Examples/Msm/AS4_INIT.mae -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/Msm 2021-04-12T15:35:44,632 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-04-12T15:35:44,634 copying build/lib/pele_platform/Examples/gpcr/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-04-12T15:35:44,641 copying build/lib/pele_platform/Examples/gpcr/complex_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-04-12T15:35:44,682 copying build/lib/pele_platform/Examples/gpcr/input_atom_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-04-12T15:35:44,688 copying build/lib/pele_platform/Examples/gpcr/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-04-12T15:35:44,693 copying build/lib/pele_platform/Examples/gpcr/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-04-12T15:35:44,736 copying build/lib/pele_platform/Examples/gpcr/input_defaults2.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/gpcr 2021-04-12T15:35:44,743 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-04-12T15:35:44,745 copying build/lib/pele_platform/Examples/exit_soft/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-04-12T15:35:44,750 copying build/lib/pele_platform/Examples/exit_soft/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/exit_soft 2021-04-12T15:35:44,755 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-04-12T15:35:44,757 copying build/lib/pele_platform/Examples/site_finder/input_global_xtc.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-04-12T15:35:44,761 copying build/lib/pele_platform/Examples/site_finder/input_folder.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-04-12T15:35:44,767 copying build/lib/pele_platform/Examples/site_finder/input_global.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-04-12T15:35:44,772 copying build/lib/pele_platform/Examples/site_finder/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-04-12T15:35:44,820 copying build/lib/pele_platform/Examples/site_finder/input_skipref.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-04-12T15:35:44,826 copying build/lib/pele_platform/Examples/site_finder/input_restart.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/site_finder 2021-04-12T15:35:44,833 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart 2021-04-12T15:35:44,835 copying build/lib/pele_platform/Examples/restart/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/restart 2021-04-12T15:35:44,843 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-04-12T15:35:44,846 copying build/lib/pele_platform/Examples/bias/input_defaults.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-04-12T15:35:44,851 copying build/lib/pele_platform/Examples/bias/complex.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/bias 2021-04-12T15:35:44,891 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:44,894 copying build/lib/pele_platform/Examples/constraints/input_external_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:44,900 copying build/lib/pele_platform/Examples/constraints/4qnr_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:44,954 copying build/lib/pele_platform/Examples/constraints/input_smiles_error.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:44,959 copying build/lib/pele_platform/Examples/constraints/4l3a_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,014 copying build/lib/pele_platform/Examples/constraints/input_square_planar_polarisation.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,020 copying build/lib/pele_platform/Examples/constraints/input_ignore.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,025 copying build/lib/pele_platform/Examples/constraints/4w4o_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,059 copying build/lib/pele_platform/Examples/constraints/input_permissive_exception.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,064 copying build/lib/pele_platform/Examples/constraints/complex_smiles_error.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,107 copying build/lib/pele_platform/Examples/constraints/4zu9_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,218 copying build/lib/pele_platform/Examples/constraints/input_k.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,224 copying build/lib/pele_platform/Examples/constraints/input_ca_ppp.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,230 copying build/lib/pele_platform/Examples/constraints/4w5i_prep.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,264 copying build/lib/pele_platform/Examples/constraints/pass_input_permissive_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,270 copying build/lib/pele_platform/Examples/constraints/input_square_planar.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,276 copying build/lib/pele_platform/Examples/constraints/input_tetrahedral.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,280 copying build/lib/pele_platform/Examples/constraints/fail_input_permissive_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,285 copying build/lib/pele_platform/Examples/constraints/input_no_metal_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,289 copying build/lib/pele_platform/Examples/constraints/input_metals.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,294 copying build/lib/pele_platform/Examples/constraints/input_constrain_smiles.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,298 copying build/lib/pele_platform/Examples/constraints/input_constrain_smarts.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,304 copying build/lib/pele_platform/Examples/constraints/ca_constraints.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,371 copying build/lib/pele_platform/Examples/constraints/input_ca_noppp.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,377 copying build/lib/pele_platform/Examples/constraints/input_all_metal_constraints.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,382 copying build/lib/pele_platform/Examples/constraints/1zop.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/constraints 2021-04-12T15:35:45,412 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-04-12T15:35:45,415 copying build/lib/pele_platform/Examples/enzyme_engineering/restart_saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-04-12T15:35:45,422 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-04-12T15:35:45,425 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-04-12T15:35:45,429 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal 2021-04-12T15:35:45,433 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-04-12T15:35:45,435 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs/ANL.rot.assign -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/LigandRotamerLibs 2021-04-12T15:35:45,442 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates 2021-04-12T15:35:45,446 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005 2021-04-12T15:35:45,451 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-04-12T15:35:45,455 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms/anlz -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/DataLocal/Templates/OPLS2005/HeteroAtoms 2021-04-12T15:35:45,462 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-04-12T15:35:45,470 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-04-12T15:35:45,475 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-04-12T15:35:45,478 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-04-12T15:35:45,484 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/trajectory_2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-04-12T15:35:45,601 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/trajectory_4.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-04-12T15:35:45,731 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D/report_4 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454D 2021-04-12T15:35:45,739 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-04-12T15:35:45,741 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization/syncFile.lock -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/synchronization 2021-04-12T15:35:45,749 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-04-12T15:35:45,752 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/topologyMapping.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0 2021-04-12T15:35:45,760 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-04-12T15:35:45,763 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering/object.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-04-12T15:35:45,767 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering/summary.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/0/clustering 2021-04-12T15:35:45,772 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/originalControlFile.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output 2021-04-12T15:35:45,777 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-04-12T15:35:45,779 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-04-12T15:35:45,784 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/trajectory_3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-04-12T15:35:45,902 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/trajectory_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-04-12T15:35:46,021 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A/report_3 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/T454A 2021-04-12T15:35:46,028 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-04-12T15:35:46,031 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topology_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-04-12T15:35:46,095 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topologies.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-04-12T15:35:46,200 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies/topology_0.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/output/topologies 2021-04-12T15:35:46,261 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-04-12T15:35:46,268 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/ANL.mae -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-04-12T15:35:46,274 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/restart_saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1 2021-04-12T15:35:46,282 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-04-12T15:35:46,284 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454A_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-04-12T15:35:46,348 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/receptor.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-04-12T15:35:46,410 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454A.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-04-12T15:35:46,472 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454D_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-04-12T15:35:46,535 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-04-12T15:35:46,541 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input/T454D.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/input 2021-04-12T15:35:46,605 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-04-12T15:35:46,608 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/controlFile0.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-04-12T15:35:46,616 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/initial_0_0.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-04-12T15:35:46,677 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output/initial_0_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_1/tmp_output 2021-04-12T15:35:46,739 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/completed_mutations.log -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart 2021-04-12T15:35:46,746 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-04-12T15:35:46,748 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/adaptive.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-04-12T15:35:46,754 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/pele.conf -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-04-12T15:35:46,760 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/ANL.mae -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-04-12T15:35:46,765 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/restart_saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2 2021-04-12T15:35:46,771 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-04-12T15:35:46,774 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/receptor.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-04-12T15:35:46,833 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/ligand.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-04-12T15:35:46,838 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/T454E_processed.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-04-12T15:35:46,898 copying build/lib/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input/T454E.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/directory_to_restart/Subset_2/input 2021-04-12T15:35:46,956 copying build/lib/pele_platform/Examples/enzyme_engineering/saturated_mutagenesis.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering 2021-04-12T15:35:46,963 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-04-12T15:35:46,965 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454A.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-04-12T15:35:47,026 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454D.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-04-12T15:35:47,089 copying build/lib/pele_platform/Examples/enzyme_engineering/pdb_files/T454E.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/enzyme_engineering/pdb_files 2021-04-12T15:35:47,153 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-04-12T15:35:47,155 copying build/lib/pele_platform/Examples/inputs/input.yaml -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-04-12T15:35:47,162 copying build/lib/pele_platform/Examples/inputs/mn4.sl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-04-12T15:35:47,167 copying build/lib/pele_platform/Examples/inputs/nord3.sge -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/inputs 2021-04-12T15:35:47,175 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering 2021-04-12T15:35:47,177 copying build/lib/pele_platform/Examples/clustering/summary.csv -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering 2021-04-12T15:35:47,185 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-12T15:35:47,187 copying build/lib/pele_platform/Examples/clustering/0/report_2 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-12T15:35:47,193 copying build/lib/pele_platform/Examples/clustering/0/report_1 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-12T15:35:47,196 copying build/lib/pele_platform/Examples/clustering/0/trajectory_2.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-12T15:35:47,233 copying build/lib/pele_platform/Examples/clustering/0/trajectory_4.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-12T15:35:47,303 copying build/lib/pele_platform/Examples/clustering/0/report_4 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-12T15:35:47,310 copying build/lib/pele_platform/Examples/clustering/0/trajectory_3.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-12T15:35:47,381 copying build/lib/pele_platform/Examples/clustering/0/trajectory_1.pdb -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-12T15:35:47,451 copying build/lib/pele_platform/Examples/clustering/0/report_3 -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-12T15:35:47,456 copying build/lib/pele_platform/Examples/clustering/0/topologyMapping.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0 2021-04-12T15:35:47,465 creating build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-04-12T15:35:47,468 copying build/lib/pele_platform/Examples/clustering/0/clustering/object.pkl -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-04-12T15:35:47,692 copying build/lib/pele_platform/Examples/clustering/0/clustering/summary.txt -> build/bdist.linux-armv7l/wheel/pele_platform/Examples/clustering/0/clustering 2021-04-12T15:35:47,705 creating build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-04-12T15:35:47,709 copying build/lib/pele_platform/enzyme_engineering/__init__.py -> build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-04-12T15:35:47,715 copying build/lib/pele_platform/enzyme_engineering/saturated_mutagenesis.py -> build/bdist.linux-armv7l/wheel/pele_platform/enzyme_engineering 2021-04-12T15:35:47,721 running install_egg_info 2021-04-12T15:35:47,741 Copying pele_platform.egg-info to build/bdist.linux-armv7l/wheel/pele_platform-1.6.0b3-py3.5.egg-info 2021-04-12T15:35:47,773 running install_scripts 2021-04-12T15:35:48,007 creating build/bdist.linux-armv7l/wheel/pele_platform-1.6.0b3.dist-info/WHEEL 2021-04-12T15:36:03,127 Building wheel for pele-platform (setup.py): finished with status 'done' 2021-04-12T15:36:03,301 Created wheel for pele-platform: filename=pele_platform-1.6.0b3-py3-none-any.whl size=10238409 sha256=cbeabf00ab1a808d4b718129133ceb184ab58585f12d82d7465fe35cfe520d9b 2021-04-12T15:36:03,302 Stored in directory: /tmp/pip-ephem-wheel-cache-9n9o234_/wheels/c4/19/46/4913606ab5a7a4ad3f547e15503a442411a3eafd08c69ca162 2021-04-12T15:36:03,363 Successfully built pele-platform 2021-04-12T15:36:05,131 Removed build tracker: '/tmp/pip-req-tracker-1b_nlcuo'