Commits · 1c938ceb94463310186729431de0ba22f6df6a91 · tsoc / openmm

04 Nov, 2015 1 commit
- Fix more python docstrings, especially __init__ functions · bed427e7
  Robert McGibbon authored Nov 03, 2015
  
  bed427e7
27 Aug, 2015 1 commit
- Python 2/3 compatibility in single code base, plus python 3 testing on travis. · b7088b74
  peastman authored Aug 10, 2015
  
  b7088b74
27 Feb, 2015 1 commit
- PdbStructure handles byte streams correctly in Python 3 · 8bcc9b3d
  peastman authored Feb 27, 2015
  
  8bcc9b3d
10 Feb, 2015 1 commit
- More support for triclinic boxes · 30a53702
  Peter Eastman authored Feb 10, 2015
  
  30a53702
09 Feb, 2015 1 commit
- Continuing triclinic box support in Python layer · 0a0f0214
  Peter Eastman authored Feb 09, 2015
  
  0a0f0214
07 Feb, 2015 1 commit
- Adding triclinic box support to Python layer · 4e62a24f
  Peter Eastman authored Feb 06, 2015
  
  4e62a24f
23 Oct, 2014 1 commit
- Further improvements to handling of weird PDB files created by VMD · 1a5029cf
  peastman authored Oct 23, 2014
  
  1a5029cf
22 Oct, 2014 3 commits
- Another attempt at correctly handling different types of numbers in PDB files · 0e36f341
  peastman authored Oct 22, 2014
  
  0e36f341
- Simplified handling of hex values · e53d4f27
  peastman authored Oct 22, 2014
  
  e53d4f27
- Handle hex values for atom and residue numbers · edbe9a74
  peastman authored Oct 22, 2014
  
  edbe9a74
18 Oct, 2013 1 commit
- Add sulphur and aluminium aliases. · 7b28f2c5
  Jason Swails authored Oct 18, 2013
```
Fix small bug in internal/pdbstructure.py.
```
  7b28f2c5
17 Sep, 2013 2 commits
- Bug fix to previous commit · bafc4ede
  peastman authored Sep 17, 2013
  
  bafc4ede
- PdbStructure records MODRES records · 61cb61fd
  peastman authored Sep 17, 2013
  
  61cb61fd
05 Sep, 2013 1 commit
- PdbStructure records SEQRES records · 5719a05d
  peastman authored Sep 05, 2013
  
  5719a05d
15 Aug, 2013 1 commit
- PDBFile was using the wrong data type for its unit cell dimensions · 8f6d3ec1
  peastman authored Aug 15, 2013
  
  8f6d3ec1
12 Jul, 2013 1 commit
- Removed trailing whitespace · 4941cc7d
  Justin MacCallum authored Jul 12, 2013
  
  4941cc7d
03 Dec, 2012 1 commit
- If a PDB file specifies elements, use them (see bug 1773) · 471cbbf0
  Peter Eastman authored Dec 03, 2012
  
  471cbbf0
29 Aug, 2012 1 commit
- Fixed bug where CONECT records were being parsed incorrectly · 84feb016
  Peter Eastman authored Aug 29, 2012
  
  84feb016
27 Mar, 2012 1 commit
- Added license notice to Python files · b3f88f6f
  Peter Eastman authored Mar 27, 2012
  
  b3f88f6f
23 Mar, 2012 1 commit
- Add bonds to Topology based on CONECT records in PDB file · fc71bac8
  Peter Eastman authored Mar 23, 2012
  
  fc71bac8
22 Feb, 2012 1 commit
- Added missing units for cases when temperature_factor is absent · 6bfe2d8b
  Mark Friedrichs authored Feb 22, 2012
  
  6bfe2d8b
03 Jan, 2012 1 commit
- Fixed bug in recognizing incomplete TER records in PDB files · 6c6161cb
  Peter Eastman authored Jan 03, 2012
  
  6c6161cb
07 Nov, 2011 1 commit
- Moved OpenMM app into the main OpenMM project · ccc0ba85
  Peter Eastman authored Nov 07, 2011
  
  ccc0ba85