Commits · 5423ff856ed9107a28f6f235613f1bf03e9bc1f0 · open / pdbfixer

21 Jul, 2015 1 commit
- Migrate to the new container architecture. · 5423ff85
  Jason Swails committed Jul 20, 2015
  
  5423ff85 Browse Files
20 Jul, 2015 6 commits
- Merge pull request #97 from peastman/timeout · ff039a65
```
Test case doesn't download PDB as many times
```
  peastman committed Jul 20, 2015
  ff039a65 Browse Files
- Further reduced number of downloads · 313bc041
  Peter Eastman committed Jul 20, 2015
  
  313bc041 Browse Files
- Removed an unneeded import · 99e6d5ee
  Peter Eastman committed Jul 20, 2015
  
  99e6d5ee Browse Files
- Test case doesn't download PDB as many times · af2513df
  Peter Eastman committed Jul 20, 2015
  
  af2513df Browse Files
- Merge pull request #96 from jchodera/master · 66d31f0a
```
Added --pdbid, --url, and --verbose flags.
```
  peastman committed Jul 20, 2015
  66d31f0a Browse Files
- Fixed py3 issue with test_cli · 326babc5
  John Chodera (MSKCC) committed Jul 20, 2015
  
  326babc5 Browse Files
19 Jul, 2015 8 commits
- Incremented delay in nosetests. · 071a849e
  John Chodera (MSKCC) committed Jul 18, 2015
  
  071a849e Browse Files
- Slowing down rapid URL retrievals for nosetests. · 6b4c5054
  John Chodera (MSKCC) committed Jul 18, 2015
  
  6b4c5054 Browse Files
- Attempting to fix URL timeout issues with nosetests. · def30674
  John Chodera (MSKCC) committed Jul 18, 2015
  
  def30674 Browse Files
- Updated HTML docs. · b8dc41c2
  John Chodera (MSKCC) committed Jul 18, 2015
  
  b8dc41c2 Browse Files
- Another try to get CLI tests to work on linux. · 26d19268
  John Chodera (MSKCC) committed Jul 18, 2015
  
  26d19268 Browse Files
- Fix CLI nosetests. · d2df9a4e
  John Chodera (MSKCC) committed Jul 18, 2015
  
  d2df9a4e Browse Files
- Updated CLI nosetest to be python3 friendly · a88d8d7a
  John Chodera (MSKCC) committed Jul 18, 2015
  
  a88d8d7a Browse Files
- Added entry_points to devtools/conda-recipe to fix nosetests. · aca6fc60
  John Chodera (MSKCC) committed Jul 18, 2015
  
  aca6fc60 Browse Files
18 Jul, 2015 2 commits

Added nosetests. · bc11f29c
John Chodera (MSKCC) committed Jul 18, 2015

bc11f29c Browse Files

Added --pdbid, --url, and --verbose flags. · 4b868972

* Users can now specify '--pdbid pdbid' flag in command-line to retrieve PDB file from RCSB
* Users can also specify '--url URL' to retrieve from custom URL.
* --vebose flag for command-line now prints out some information about what is going on; maybe we can convert this to logging later

committed Jul 18, 2015

4b868972 Browse Files

06 Jul, 2015 1 commit
- Merge pull request #94 from jchodera/update-setup · 97c882cd
```
Cowardly refuse to install unless openmm >= 6.3 is installed
```
  peastman committed Jul 06, 2015
  97c882cd Browse Files
04 Jul, 2015 1 commit
- Cowardly refuse to install unless openmm>=6.3 is installed. Update version to 1.2. · 383d9917
  John Chodera (MSKCC) committed Jul 04, 2015
  
  383d9917 Browse Files
04 Mar, 2015 2 commits
- Merge pull request #86 from peastman/ids · b61152f5
```
Preserve residue and chain IDs
```
  peastman committed Mar 03, 2015
  b61152f5 Browse Files
- Preserve residue and chain IDs · 22c21b05
  Peter Eastman committed Mar 03, 2015
  
  22c21b05 Browse Files
03 Mar, 2015 7 commits
- Merge pull request #85 from peastman/py3 · 743a2ab5
```
Fixed a test failure under Python 3
```
  peastman committed Mar 03, 2015
  743a2ab5 Browse Files
- Fixed a test failure under Python 3 · cddfb9f5
  Peter Eastman committed Mar 03, 2015
  
  cddfb9f5 Browse Files
- Merge pull request #84 from jchodera/test-data · 71a010bb
```
Reorganize tests; simplify doctests.
```
  peastman committed Mar 03, 2015
  71a010bb Browse Files
- Fixed a second occurrence of the same issue. · c96b2440
  John Chodera (MSKCC) committed Mar 03, 2015
  
  c96b2440 Browse Files
- Another fix attempt for nose test. · e935d42a
  John Chodera (MSKCC) committed Mar 03, 2015
  
  e935d42a Browse Files
- Nose test fix to (hopefully) add Python 3 compatibility. · 127ce2fb
  John Chodera (MSKCC) committed Mar 03, 2015
  
  127ce2fb Browse Files
- Reorganize tests; simplify doctests. · 1cb702c9
  John Chodera (MSKCC) committed Mar 02, 2015
  
  1cb702c9 Browse Files
26 Feb, 2015 8 commits
- Merge pull request #80 from jchodera/pdbfixer-dev · 23ebf586
```
Changes required to upload to binstar
```
  peastman committed Feb 26, 2015
  23ebf586 Browse Files
- Merge pull request #79 from jchodera/fix-travis-badge · b4b55d53
```
Updated README for SimTK -> pandegroup change
```
  peastman committed Feb 26, 2015
  b4b55d53 Browse Files
- Changes required to upload to binstar · eb345048
  John Chodera (MSKCC) committed Feb 26, 2015
  
  eb345048 Browse Files
- Updated README for SimTK -> pandegroup change · 41fcd328
  John Chodera (MSKCC) committed Feb 26, 2015
  
  41fcd328 Browse Files
- Merge pull request #77 from jchodera/pdbfixer-dev · 6e0c9202
```
Have travis build pdbfixer-dev conda package and push to binstar
```
  peastman committed Feb 26, 2015
  6e0c9202 Browse Files
- Merge remote-tracking branch 'upstream/master' into pdbfixer-dev · b95d1830
  John Chodera (MSKCC) committed Feb 26, 2015
  
  b95d1830 Browse Files
- Merge pull request #78 from kyleabeauchamp/fixdoctest · ba460803
```
Fix broken doctest in applyMutations
```
  peastman committed Feb 26, 2015
  ba460803 Browse Files
- Fix broken doctest in applyMutations · 7d103321
  kyleabeauchamp committed Feb 26, 2015
  
  7d103321 Browse Files
25 Feb, 2015 4 commits
- Minor updates. · 7c2a6690
  John Chodera (MSKCC) committed Feb 25, 2015
  
  7c2a6690 Browse Files
- Changed conda package requirement from openmm to openmm-dev. · 5626bbc9
  John Chodera (MSKCC) committed Feb 25, 2015
  
  5626bbc9 Browse Files
- Updated conda recipe nosetests command. · 938d1c23
  John Chodera (MSKCC) committed Feb 25, 2015
  
  938d1c23 Browse Files
- Added nose to conda recipe requirements. · c642e70c
  John Chodera (MSKCC) committed Feb 25, 2015
  
  c642e70c Browse Files