Commits · 9f93a85bfb6d4b77958c53c5fc916f7551671640 · open / pdbfixer

01 Dec, 2018 1 commit
- Merge pull request #180 from JoaoRodrigues/apply_compiled_fix · 9f93a85b
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Fixed error when calling _matchResidue(). OpenMM now uses compiled functions
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  peastman committed Nov 30, 2018
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30 Nov, 2018 2 commits
- Refactored code to support both old/new versions of OpenMM · 200534fe
  João Rodrigues committed Nov 30, 2018
  
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- Fixed error when calling _matchResidue(). OpenMM now uses compiled.* functions · eab0d4d8
  João Rodrigues committed Nov 29, 2018
  
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04 Oct, 2018 1 commit
- Merge pull request #177 from JoaoRodrigues/reproducible_addatoms · 4cea9a7f
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Added a seed parameter to addMissingAtoms to allow reproducible results
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  peastman committed Oct 04, 2018
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03 Oct, 2018 1 commit
- Added a seed parameter to addMissingAtoms to allow reproducible results · ace24522
  João Rodrigues committed Oct 03, 2018
  
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17 Sep, 2018 1 commit
- Merge pull request #174 from T-B-F/patch-1 · 699ba103
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Update usage as "prog filename [options]"
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  peastman committed Sep 17, 2018
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14 Sep, 2018 1 commit
- Update usage as "prog filename [options]" · 1d7753c0
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filename must be the first argument of pdbfixer when used with options (line 1218)
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  T-B-F committed Sep 14, 2018
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22 May, 2018 2 commits
- Merge pull request #168 from peastman/single · 6c1caa96
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Fixed error when a file contains only one residue
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  peastman committed May 22, 2018
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- Fixed error when a file contains only one residue · 13a801ab
  peastman committed May 22, 2018
  
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04 Dec, 2017 4 commits
- Merge pull request #158 from peastman/version · 733dc3ae
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Update version number to 1.5
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  peastman committed Dec 04, 2017
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- Update version number to 1.5 · 1eb0abba
  peastman committed Dec 04, 2017
  
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- Merge pull request #157 from peastman/membrane · 8f609f84
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Can build membranes
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  peastman committed Dec 03, 2017
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- Updated Python versions tested by travis · eec6d30e
  peastman committed Dec 03, 2017
  
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30 Nov, 2017 1 commit
- Can build membranes · 3f8ea2f5
  peastman committed Nov 30, 2017
  
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25 Aug, 2017 2 commits
- Merge pull request #156 from peastman/error · 943fda10
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Fixed error on files with only one chain
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  peastman committed Aug 25, 2017
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- Fixed error on files with only one chain · f8e53db9
  peastman committed Aug 25, 2017
  
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14 Apr, 2017 1 commit
- Merge pull request #152 from peastman/heterogens · ea4bb1c8
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Remove heterogens before finding missing atoms
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  peastman committed Apr 14, 2017
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12 Apr, 2017 1 commit
- Remove heterogens before finding missing atoms · 23cd3ab5
  peastman committed Apr 12, 2017
  
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04 Feb, 2017 1 commit
- Merge pull request #148 from peastman/version · f0406873
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Updated version number to 1.4
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  peastman committed Feb 03, 2017
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03 Feb, 2017 1 commit
- Updated version number to 1.4 · 80ff1682
  peastman committed Feb 03, 2017
  
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06 Dec, 2016 5 commits
- Merge pull request #143 from peastman/registeratom · 5ed0d255
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Fixed code that was broken by changes to OpenMM
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  peastman committed Dec 06, 2016
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- Yet another attempt at fixing travis error · f2fe538a
  peastman committed Dec 06, 2016
  
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- Another attempt at fixing travis error · 2e6ce24f
  peastman committed Dec 06, 2016
  
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- Removed reference to openmm-dev package · 90388c27
  peastman committed Dec 06, 2016
  
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- Use https for downloading miniconda · 4ad0cf0f
  peastman committed Dec 05, 2016
  
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05 Dec, 2016 1 commit
- Fixed code that was broken by changes to OpenMM · 2cc1516c
  peastman committed Dec 05, 2016
  
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19 Aug, 2016 1 commit
- Merge pull request #140 from peastman/bonds · b81a9e42
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Preserve bonds within heterogens
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  peastman committed Aug 19, 2016
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17 Aug, 2016 1 commit
- Preserve bonds within heterogens · 580d08cf
  peastman committed Aug 17, 2016
  
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23 Jun, 2016 1 commit
- Merge pull request #135 from peastman/py2 · 1bec1b7c
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Fixed error with Python 2
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  peastman committed Jun 22, 2016
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22 Jun, 2016 1 commit
- Fixed error with Python 2 · 8c8a1737
  peastman committed Jun 21, 2016
  
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18 Apr, 2016 2 commits
- Merge pull request #132 from peastman/duplicates · d829626f
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Removed duplicate templates from soft.xml
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  peastman committed Apr 18, 2016
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- Removed duplicate templates from soft.xml · dbc01eab
  peastman committed Apr 18, 2016
  
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13 Apr, 2016 3 commits
- Merge pull request #130 from peastman/version · fb8eea15
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Updated version number to 1.3
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  peastman committed Apr 13, 2016
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- Require OpenMM >= 7.0 · 53b2d443
  peastman committed Apr 13, 2016
  
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- Updated version number to 1.3 · c40688fa
  peastman committed Apr 13, 2016
  
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10 Apr, 2016 4 commits
- Merge pull request #128 from jchodera/binstar · 0d8d062f
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Fix BINSTAR_TOKEN so pdbfixer-dev upload works correctly.
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  Matthew Harrigan committed Apr 10, 2016
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- Fix Miniconda md5 mismatch · 0896c6eb
  John Chodera (MSKCC) committed Apr 09, 2016
  
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- Change version number to 0.0.0 · 4f8cce57
  John Chodera (MSKCC) committed Apr 09, 2016
  
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- Fix BINSTAR_TOKEN · 289e110b
  John Chodera (MSKCC) committed Apr 09, 2016
  
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23 Mar, 2016 1 commit
- Merge pull request #125 from peastman/pyflakes · e63e7830
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Do not run pyflakes on travis
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  peastman committed Mar 23, 2016
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