Commits · 2017d388d4933c36be5076b4a0a8d0f9470a398a · open / pdbfixer · GitLab

30 Mar, 2014 4 commits
- Refined testing. · 2017d388
  John Chodera (MSKCC) committed Mar 30, 2014
  
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- Updated command-line interface. · 0e7ae464
  John Chodera (MSKCC) committed Mar 30, 2014
  
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- Updated interface based on @peastman suggestions. Started to convert docstrings… · 5fd17b42
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Updated interface based on @peastman suggestions. Started to convert docstrings to numpy format. Updated test with some small PDBs.
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  John Chodera (MSKCC) committed Mar 30, 2014
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- Made changes based on @rmcgibbo's suggestions. Updated tests to use PDB code… · d97651ac
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Made changes based on @rmcgibbo's suggestions.  Updated tests to use PDB code retrieval, switched to simpler test cases for now.
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  John Chodera (MSKCC) committed Mar 30, 2014
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29 Mar, 2014 5 commits
- Added support for PDB codes, file reading, and filenames. · 0a426855
  John Chodera (MSKCC) committed Mar 29, 2014
  
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- Added 'six' compatibility library dependency to setup.py · 67e3f4ee
  John Chodera (MSKCC) committed Mar 29, 2014
  
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- Merge pull request #23 from rmcgibbo/minor · 6e4432c2
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Fix issue #22
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  peastman committed Mar 29, 2014
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- Fix issue #22 · bb1fb660
  Robert McGibbon committed Mar 29, 2014
  
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- Merge pull request #18 from jchodera/master · f9a90679
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Add travis-ci and basic tests [ready to merge]
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  peastman committed Mar 28, 2014
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28 Mar, 2014 25 commits
- Added Exception handling back. · 532d7279
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- added watchdog class from stackoverflow · 509dcb40
  Grinaway committed Mar 28, 2014
  
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- fixed some syntax issues. · cbe0efa1
  Grinaway committed Mar 28, 2014
  
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- tried changing syntax to with: · 3535e091
  Grinaway committed Mar 28, 2014
  
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- Added eventlet. · f514af82
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Attempted to add timeout to tests. · 920bea10
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Fixed travis-ci · 53a29217
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Removed old build-only test. · 53e59cd5
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Combined build and simulate tests. · e16ab084
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Added simulation test, and cleaned up tests a bit. · 24ca9600
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We still only test one PDB file, however.
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  John Chodera (MSKCC) committed Mar 28, 2014
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- Removed debug code. · fc191ebd
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Updated .travis.yml and test build. · f902ca3d
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Added debug code to test why travis-ci is failing. · da0fa01c
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Updated tests to use URL download. · 00469843
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Added some problematic PDB codes. · 19e9c1f4
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Sigh. · d67c3843
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Think this will work. · b248e7de
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Another attempt. · 32d4701b
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Another attempt. · f492c5e8
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Another attempt at travis-ci fix. · a92b70e5
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Added setuptools to travis-ci test. · 1fac2e24
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Fixed PATH after conda install. · d9e0c71c
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Fixed path for OpenMM conda package. · 39311734
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Updated README with travis-ci badge. · 79d49908
  John Chodera (MSKCC) committed Mar 27, 2014
  
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- Added draft .travis.yml · f43eb11f
  John Chodera (MSKCC) committed Mar 27, 2014
  
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27 Mar, 2014 2 commits
- Merge pull request #15 from rmcgibbo/urlchange · 7a33eebb
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Change the base url of the project
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  peastman committed Mar 27, 2014
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- Change the base url of the project · fa4d9e57
  Robert McGibbon committed Mar 27, 2014
  
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25 Mar, 2014 1 commit
- Merge pull request #13 from rmcgibbo/package · 9f149d4e
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Package up PDBFixer
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  peastman committed Mar 25, 2014
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24 Mar, 2014 3 commits
- Make createSoftForceField python3 compatible · 4c104519
  Robert McGibbon committed Mar 23, 2014
  
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- newline · 8d6677ab
  Robert McGibbon committed Mar 23, 2014
  
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- Add checks for dependencies · b7be963a
  Robert McGibbon committed Mar 23, 2014
  
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