Commits · 695125cc71ab61cb84a43ba831b0bf2692b8bd41 · open / pdbfixer

08 Nov, 2019 2 commits
- Bug fix · 695125cc
  peastman committed Nov 08, 2019
  
  695125cc Browse Files
- Fixed exception loading PDBx/mmCIF files with missing blocks · 2a816abe
  peastman committed Nov 08, 2019
  
  2a816abe Browse Files
04 Sep, 2019 2 commits
- Merge pull request #185 from peastman/version · 6343731b
```
Updated version number to 1.6
```
  peastman committed Sep 04, 2019
  6343731b Browse Files
- Updated version number to 1.6 · 30a5a1f9
  peastman committed Sep 04, 2019
  
  30a5a1f9 Browse Files
09 Aug, 2019 1 commit
- Merge pull request #184 from peastman/insertion · 4e2daa1e
```
Improved handling of insertion codes
```
  peastman committed Aug 09, 2019
  4e2daa1e Browse Files
07 Aug, 2019 1 commit
- Improved handling of insertion codes · a9feaed6
  peastman committed Aug 07, 2019
  
  a9feaed6 Browse Files
01 Dec, 2018 1 commit
- Merge pull request #180 from JoaoRodrigues/apply_compiled_fix · 9f93a85b
```
Fixed error when calling _matchResidue(). OpenMM now uses compiled functions
```
  peastman committed Nov 30, 2018
  9f93a85b Browse Files
30 Nov, 2018 2 commits
- Refactored code to support both old/new versions of OpenMM · 200534fe
  João Rodrigues committed Nov 30, 2018
  
  200534fe Browse Files
- Fixed error when calling _matchResidue(). OpenMM now uses compiled.* functions · eab0d4d8
  João Rodrigues committed Nov 29, 2018
  
  eab0d4d8 Browse Files
04 Oct, 2018 1 commit
- Merge pull request #177 from JoaoRodrigues/reproducible_addatoms · 4cea9a7f
```
Added a seed parameter to addMissingAtoms to allow reproducible results
```
  peastman committed Oct 04, 2018
  4cea9a7f Browse Files
03 Oct, 2018 1 commit
- Added a seed parameter to addMissingAtoms to allow reproducible results · ace24522
  João Rodrigues committed Oct 03, 2018
  
  ace24522 Browse Files
17 Sep, 2018 1 commit
- Merge pull request #174 from T-B-F/patch-1 · 699ba103
```
Update usage as "prog filename [options]"
```
  peastman committed Sep 17, 2018
  699ba103 Browse Files
14 Sep, 2018 1 commit
- Update usage as "prog filename [options]" · 1d7753c0
```
filename must be the first argument of pdbfixer when used with options (line 1218)
```
  T-B-F committed Sep 14, 2018
  1d7753c0 Browse Files
22 May, 2018 2 commits
- Merge pull request #168 from peastman/single · 6c1caa96
```
Fixed error when a file contains only one residue
```
  peastman committed May 22, 2018
  6c1caa96 Browse Files
- Fixed error when a file contains only one residue · 13a801ab
  peastman committed May 22, 2018
  
  13a801ab Browse Files
04 Dec, 2017 4 commits
- Merge pull request #158 from peastman/version · 733dc3ae
```
Update version number to 1.5
```
  peastman committed Dec 04, 2017
  733dc3ae Browse Files
- Update version number to 1.5 · 1eb0abba
  peastman committed Dec 04, 2017
  
  1eb0abba Browse Files
- Merge pull request #157 from peastman/membrane · 8f609f84
```
Can build membranes
```
  peastman committed Dec 03, 2017
  8f609f84 Browse Files
- Updated Python versions tested by travis · eec6d30e
  peastman committed Dec 03, 2017
  
  eec6d30e Browse Files
30 Nov, 2017 1 commit
- Can build membranes · 3f8ea2f5
  peastman committed Nov 30, 2017
  
  3f8ea2f5 Browse Files
25 Aug, 2017 2 commits
- Merge pull request #156 from peastman/error · 943fda10
```
Fixed error on files with only one chain
```
  peastman committed Aug 25, 2017
  943fda10 Browse Files
- Fixed error on files with only one chain · f8e53db9
  peastman committed Aug 25, 2017
  
  f8e53db9 Browse Files
14 Apr, 2017 1 commit
- Merge pull request #152 from peastman/heterogens · ea4bb1c8
```
Remove heterogens before finding missing atoms
```
  peastman committed Apr 14, 2017
  ea4bb1c8 Browse Files
12 Apr, 2017 1 commit
- Remove heterogens before finding missing atoms · 23cd3ab5
  peastman committed Apr 12, 2017
  
  23cd3ab5 Browse Files
04 Feb, 2017 1 commit
- Merge pull request #148 from peastman/version · f0406873
```
Updated version number to 1.4
```
  peastman committed Feb 03, 2017
  f0406873 Browse Files
03 Feb, 2017 1 commit
- Updated version number to 1.4 · 80ff1682
  peastman committed Feb 03, 2017
  
  80ff1682 Browse Files
06 Dec, 2016 5 commits
- Merge pull request #143 from peastman/registeratom · 5ed0d255
```
Fixed code that was broken by changes to OpenMM
```
  peastman committed Dec 06, 2016
  5ed0d255 Browse Files
- Yet another attempt at fixing travis error · f2fe538a
  peastman committed Dec 06, 2016
  
  f2fe538a Browse Files
- Another attempt at fixing travis error · 2e6ce24f
  peastman committed Dec 06, 2016
  
  2e6ce24f Browse Files
- Removed reference to openmm-dev package · 90388c27
  peastman committed Dec 06, 2016
  
  90388c27 Browse Files
- Use https for downloading miniconda · 4ad0cf0f
  peastman committed Dec 05, 2016
  
  4ad0cf0f Browse Files
05 Dec, 2016 1 commit
- Fixed code that was broken by changes to OpenMM · 2cc1516c
  peastman committed Dec 05, 2016
  
  2cc1516c Browse Files
19 Aug, 2016 1 commit
- Merge pull request #140 from peastman/bonds · b81a9e42
```
Preserve bonds within heterogens
```
  peastman committed Aug 19, 2016
  b81a9e42 Browse Files
17 Aug, 2016 1 commit
- Preserve bonds within heterogens · 580d08cf
  peastman committed Aug 17, 2016
  
  580d08cf Browse Files
23 Jun, 2016 1 commit
- Merge pull request #135 from peastman/py2 · 1bec1b7c
```
Fixed error with Python 2
```
  peastman committed Jun 22, 2016
  1bec1b7c Browse Files
22 Jun, 2016 1 commit
- Fixed error with Python 2 · 8c8a1737
  peastman committed Jun 21, 2016
  
  8c8a1737 Browse Files
18 Apr, 2016 2 commits
- Merge pull request #132 from peastman/duplicates · d829626f
```
Removed duplicate templates from soft.xml
```
  peastman committed Apr 18, 2016
  d829626f Browse Files
- Removed duplicate templates from soft.xml · dbc01eab
  peastman committed Apr 18, 2016
  
  dbc01eab Browse Files
13 Apr, 2016 2 commits
- Merge pull request #130 from peastman/version · fb8eea15
```
Updated version number to 1.3
```
  peastman committed Apr 13, 2016
  fb8eea15 Browse Files
- Require OpenMM >= 7.0 · 53b2d443
  peastman committed Apr 13, 2016
  
  53b2d443 Browse Files