Commits · 94084151b4ba0237db78c65798220f9fbf6199bf · open / pdbfixer · GitLab

13 Nov, 2014 1 commit
- Added nosetests configuration file to ensure doctests run. · 94084151
  John Chodera (MSKCC) committed Nov 13, 2014
  
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31 Oct, 2014 6 commits
- Merge pull request #64 from peastman/master · 19a95810
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Updated version number to 1.1
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  peastman committed Oct 31, 2014
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- Updated version number to 1.1 · 94f3192d
  peastman committed Oct 31, 2014
  
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- Merge pull request #63 from peastman/pdbfile · da477548
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Renamed one argument
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  peastman committed Oct 31, 2014
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- Renamed one argument · bcd2e153
  peastman committed Oct 31, 2014
  
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- Merge pull request #61 from peastman/master · 5ec1679e
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Do another energy minimization after annealing
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  peastman committed Oct 31, 2014
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- Do another energy minimization after annealing · b0f8f744
  peastman committed Oct 31, 2014
  
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29 Oct, 2014 2 commits
- Merge pull request #60 from peastman/master · 816500da
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Initial positions of added residues are more intelligently chosen
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  peastman committed Oct 29, 2014
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- Initial positions of added residues are more intelligently chosen · feff9522
  peastman committed Oct 29, 2014
  
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24 Oct, 2014 2 commits
- Merge pull request #58 from leeping/master · 6d75bb33
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PDBFixer writes a remark containing the original source
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  peastman committed Oct 24, 2014
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- PDBFixer writes a remark containing the original source · e05aa4a2
  Lee-Ping committed Oct 24, 2014
  
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11 Aug, 2014 1 commit
- Merge pull request #52 from jchodera/fix-mutate · 233d3fc5
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Add support for specifying chain ids in chains to remove [ready to merge]
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  peastman committed Aug 11, 2014
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09 Aug, 2014 5 commits
- Fixed another bug in nosetest. · d2bdc1d3
  John Chodera (MSKCC) committed Aug 09, 2014
  
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- Fixed bug in nosetest for removechains. · c69ef4b7
  John Chodera (MSKCC) committed Aug 09, 2014
  
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- Fixed some bugs due to surprising behavior of structure in which same chain ids… · ab0a7435
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Fixed some bugs due to surprising behavior of structure in which same chain ids can appear in multiple distinct chains.
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  John Chodera (MSKCC) committed Aug 09, 2014
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- Bugfixes. · 26b4bf9a
  John Chodera (MSKCC) committed Aug 09, 2014
  
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- Initial attempt at fix to add chain id removal. · 06cca8af
  John Chodera (MSKCC) committed Aug 09, 2014
  
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25 Jun, 2014 2 commits
- Merge pull request #48 from peastman/master · eb89d7be
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Updated manual to reflect changes to the API
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  peastman committed Jun 25, 2014
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- Updated manual to reflect changes to the API · 4a8f7209
  Peter Eastman committed Jun 25, 2014
  
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13 Jun, 2014 2 commits
- Merge pull request #42 from peastman/master · de5a97b9
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Additional minor improvements to UI
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  peastman committed Jun 13, 2014
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- Additional minor improvements to UI · ad15664d
  Peter Eastman committed Jun 13, 2014
  
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12 Jun, 2014 2 commits
- Merge pull request #41 from peastman/master · 087a0e3a
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Lots of improvements to appearance of UI
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  peastman committed Jun 12, 2014
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- Lots of improvements to appearance of UI · b69bc988
  Peter Eastman committed Jun 12, 2014
  
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29 May, 2014 6 commits
- Merge pull request #39 from kyleabeauchamp/applymutation · f7df6c00
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Added applyMutations and tests.
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  peastman committed May 29, 2014
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- Test atoms in LEU mutation · 1f4b9ed7
  Kyle Beauchamp committed May 29, 2014
  
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- Test atom names in GLY and ALA after mutation. · 63c86249
  Kyle Beauchamp committed May 29, 2014
  
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- Test atom numbers · ac2538b4
  Kyle Beauchamp committed May 29, 2014
  
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- Test number of atoms after mutation. · c3ea4df8
  Kyle Beauchamp committed May 29, 2014
  
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- Added more fixes. · 7ae182db
  Kyle Beauchamp committed May 29, 2014
  
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28 May, 2014 1 commit
- Improved tests and docstring example. · 04eaddb7
  Kyle Beauchamp committed May 28, 2014
  
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21 May, 2014 1 commit
- Initial revisions · 4a38eb7d
  Kyle Beauchamp committed May 21, 2014
  
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14 May, 2014 5 commits
- Give nicer error when index not found. · 08c22124
  Kyle Beauchamp committed May 14, 2014
  
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- Add hydrogens afterward in examples and tests. · 33d2d841
  Kyle Beauchamp committed May 14, 2014
  
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- Remove extra print statements. · 68e6c01f
  Kyle Beauchamp committed May 14, 2014
  
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- Removed extra return value. · 9b51d5ba
  Kyle Beauchamp committed May 14, 2014
  
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- Added applyMutations and tests. · 75ce197b
  Kyle Beauchamp committed May 14, 2014
  
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05 May, 2014 1 commit
- Merge pull request #37 from kyleabeauchamp/fixes · 4bbe112c
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Added PDBFixer to init.py
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  peastman committed May 05, 2014
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04 May, 2014 1 commit
- Added PDBFixer to init.py · ca38860e
  Kyle Beauchamp committed May 04, 2014
  
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29 Apr, 2014 2 commits
- Merge pull request #35 from leeping/master · bcc2717a
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Fixed incorrect call to addSolvent()
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  peastman committed Apr 29, 2014
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- Fixed incorrect call to addSolvent() · dcfb6faf
  Lee-Ping Wang committed Apr 29, 2014
  
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