Commits · b81a9e4269df643cdd7c92f93e4238d51b798c73 · open / pdbfixer · GitLab

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 8 commits
- 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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- Do not run pyflakes on travis · 738f6e8f
  peastman committed Mar 23, 2016
  
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- Merge pull request #124 from peastman/unused · 61127ce0
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Removed some unused code
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  peastman committed Mar 23, 2016
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- Added back an import that really was needed · 59e3c3cc
  peastman committed Mar 23, 2016
  
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- Removed some unused code · 9752ca35
  peastman committed Mar 23, 2016
  
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- Merge pull request #122 from jchodera/master · 14e64d7d
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Install pyflakes on travis
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  peastman committed Mar 22, 2016
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- Fixes for pyflakes · 9c7b55dd
  John Chodera (MSKCC) committed Mar 22, 2016
  
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- Merge remote-tracking branch 'upstream/master' · f86fccc9
  John Chodera (MSKCC) committed Mar 22, 2016
  
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22 Mar, 2016 5 commits
- Install pyflakes on travis. · 948fcdd9
  John Chodera (MSKCC) committed Mar 22, 2016
  
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- Merge pull request #120 from peastman/tests · 22b96f46
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Fixed some failing test cases
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  peastman committed Mar 22, 2016
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- Fixed some failing test cases · 24fae78b
  peastman committed Mar 22, 2016
  
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- Merge pull request #119 from jchodera/master · 505f1763
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Refresh travis/devtools
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  peastman committed Mar 22, 2016
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- Refresh travis/devtools · f4872610
  John Chodera (MSKCC) committed Mar 22, 2016
  
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10 Feb, 2016 1 commit
- Merge pull request #115 from jaimergp/master · 992e0987
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Specify water box dimensions with JS enhanced padding field
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  peastman committed Feb 10, 2016
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09 Feb, 2016 1 commit
- User-friendly CSS tooltip · c165bad8
  Jaime RG committed Feb 09, 2016
  
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27 Jan, 2016 1 commit
- Support for additional solvation boxes · a11b141c
  Jaime RGP committed Jan 27, 2016
  
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19 Jan, 2016 2 commits
- Force cubic geometry by default · 1e02b130
  Jaime RG committed Jan 19, 2016
  
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- Specify water box dimensions with JS enhanced padding field · 24e8991d
  Jaime RGP committed Jan 19, 2016
  
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01 Sep, 2015 4 commits
- Merge pull request #110 from jchodera/master · 7b94709a
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Fix issue with mutations when chain appears in multiple places in PDB file
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  peastman committed Sep 01, 2015
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- Cleaner building of mutation list. · b76228cb
  Chodera committed Sep 01, 2015
  
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- Python 3 compatibility; fix issue with chain_numbers · eed66441
  Chodera committed Sep 01, 2015
  
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- Major mutation code cleanup · 9d054482
  Chodera committed Sep 01, 2015
  
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28 Aug, 2015 1 commit
- Fix issue with mutations when chain appears in multiple places in PDB file… · 2436468b
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Fix issue with mutations when chain appears in multiple places in PDB file separated by other chains.
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  Chodera committed Aug 28, 2015
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08 Aug, 2015 1 commit
- Merge pull request #107 from peastman/pdbx · ccc80f18
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[WIP] Added support for loading PDBx/mmCIF files
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  peastman committed Aug 07, 2015
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07 Aug, 2015 3 commits
- Fixed incorrect docstring · eb82172f
  Peter Eastman committed Aug 07, 2015
  
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- Minor updates to manual · 6b0bc5a3
  Peter Eastman committed Aug 07, 2015
  
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- Improved logic for detecting file format · c66c661e
  Peter Eastman committed Aug 07, 2015
  
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