Commits · ccc80f18ae870d7defaa76ff2154344be69957c5 · open / pdbfixer

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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06 Aug, 2015 1 commit
- Added support for loading PDBx/mmCIF files · 82ce81d0
  Peter Eastman committed Aug 06, 2015
  
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05 Aug, 2015 2 commits
- Merge pull request #106 from peastman/structure · bbb8cfa8
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Removed the remaining internal dependence on PdbStructure
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  peastman committed Aug 05, 2015
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- Removed the remaining internal dependence on PdbStructure · ecd9e8cb
  Peter Eastman committed Aug 05, 2015
  
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04 Aug, 2015 2 commits
- Merge pull request #103 from jchodera/fix-travis · b2f347b0
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Fix issues with travis-ci and binstar upload of dev package.
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  peastman committed Aug 04, 2015
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- Fix issues with travis-ci and binstar upload of dev package. · 11ad578b
  Chodera committed Aug 04, 2015
  
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03 Aug, 2015 2 commits
- Merge pull request #102 from peastman/addedbonds · e546d5a5
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Fixed error when _addAtomsToTopology() added bonds but not atoms
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  peastman committed Aug 03, 2015
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- Fixed error when _addAtomsToTopology() added bonds but not atoms · 75b20c6e
  peastman committed Aug 03, 2015
  
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21 Jul, 2015 2 commits
- Merge pull request #98 from swails/travis · e1f65bf5
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Migrate to the new container architecture.
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  peastman committed Jul 21, 2015
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- Migrate to the new container architecture. · 5423ff85
  Jason Swails committed Jul 20, 2015
  
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20 Jul, 2015 6 commits
- Merge pull request #97 from peastman/timeout · ff039a65
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Test case doesn't download PDB as many times
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  peastman committed Jul 20, 2015
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- Further reduced number of downloads · 313bc041
  Peter Eastman committed Jul 20, 2015
  
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- Removed an unneeded import · 99e6d5ee
  Peter Eastman committed Jul 20, 2015
  
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- Test case doesn't download PDB as many times · af2513df
  Peter Eastman committed Jul 20, 2015
  
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- Merge pull request #96 from jchodera/master · 66d31f0a
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Added --pdbid, --url, and --verbose flags.
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  peastman committed Jul 20, 2015
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- Fixed py3 issue with test_cli · 326babc5
  John Chodera (MSKCC) committed Jul 20, 2015
  
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19 Jul, 2015 8 commits
- Incremented delay in nosetests. · 071a849e
  John Chodera (MSKCC) committed Jul 18, 2015
  
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- Slowing down rapid URL retrievals for nosetests. · 6b4c5054
  John Chodera (MSKCC) committed Jul 18, 2015
  
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- Attempting to fix URL timeout issues with nosetests. · def30674
  John Chodera (MSKCC) committed Jul 18, 2015
  
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- Updated HTML docs. · b8dc41c2
  John Chodera (MSKCC) committed Jul 18, 2015
  
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- Another try to get CLI tests to work on linux. · 26d19268
  John Chodera (MSKCC) committed Jul 18, 2015
  
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- Fix CLI nosetests. · d2df9a4e
  John Chodera (MSKCC) committed Jul 18, 2015
  
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- Updated CLI nosetest to be python3 friendly · a88d8d7a
  John Chodera (MSKCC) committed Jul 18, 2015
  
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- Added entry_points to devtools/conda-recipe to fix nosetests. · aca6fc60
  John Chodera (MSKCC) committed Jul 18, 2015
  
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18 Jul, 2015 2 commits

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

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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

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06 Jul, 2015 1 commit
- Merge pull request #94 from jchodera/update-setup · 97c882cd
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Cowardly refuse to install unless openmm >= 6.3 is installed
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  peastman committed Jul 06, 2015
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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
  
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04 Mar, 2015 2 commits
- Merge pull request #86 from peastman/ids · b61152f5
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Preserve residue and chain IDs
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  peastman committed Mar 03, 2015
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- Preserve residue and chain IDs · 22c21b05
  Peter Eastman committed Mar 03, 2015
  
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03 Mar, 2015 7 commits
- Merge pull request #85 from peastman/py3 · 743a2ab5
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Fixed a test failure under Python 3
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  peastman committed Mar 03, 2015
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- Fixed a test failure under Python 3 · cddfb9f5
  Peter Eastman committed Mar 03, 2015
  
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- Merge pull request #84 from jchodera/test-data · 71a010bb
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Reorganize tests; simplify doctests.
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  peastman committed Mar 03, 2015
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- Fixed a second occurrence of the same issue. · c96b2440
  John Chodera (MSKCC) committed Mar 03, 2015
  
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- Another fix attempt for nose test. · e935d42a
  John Chodera (MSKCC) committed Mar 03, 2015
  
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- Nose test fix to (hopefully) add Python 3 compatibility. · 127ce2fb
  John Chodera (MSKCC) committed Mar 03, 2015
  
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- Reorganize tests; simplify doctests. · 1cb702c9
  John Chodera (MSKCC) committed Mar 02, 2015
  
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