Commits · bc11f29cf1a364f1d56b9633b7e9d29986008e03 · open / pdbfixer

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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26 Feb, 2015 8 commits
- Merge pull request #80 from jchodera/pdbfixer-dev · 23ebf586
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Changes required to upload to binstar
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  peastman committed Feb 26, 2015
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- Merge pull request #79 from jchodera/fix-travis-badge · b4b55d53
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Updated README for SimTK -> pandegroup change
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  peastman committed Feb 26, 2015
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- Changes required to upload to binstar · eb345048
  John Chodera (MSKCC) committed Feb 26, 2015
  
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- Updated README for SimTK -> pandegroup change · 41fcd328
  John Chodera (MSKCC) committed Feb 26, 2015
  
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- Merge pull request #77 from jchodera/pdbfixer-dev · 6e0c9202
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Have travis build pdbfixer-dev conda package and push to binstar
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  peastman committed Feb 26, 2015
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- Merge remote-tracking branch 'upstream/master' into pdbfixer-dev · b95d1830
  John Chodera (MSKCC) committed Feb 26, 2015
  
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- Merge pull request #78 from kyleabeauchamp/fixdoctest · ba460803
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Fix broken doctest in applyMutations
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  peastman committed Feb 26, 2015
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- Fix broken doctest in applyMutations · 7d103321
  kyleabeauchamp committed Feb 26, 2015
  
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25 Feb, 2015 6 commits
- Minor updates. · 7c2a6690
  John Chodera (MSKCC) committed Feb 25, 2015
  
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- Changed conda package requirement from openmm to openmm-dev. · 5626bbc9
  John Chodera (MSKCC) committed Feb 25, 2015
  
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- Updated conda recipe nosetests command. · 938d1c23
  John Chodera (MSKCC) committed Feb 25, 2015
  
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- Added nose to conda recipe requirements. · c642e70c
  John Chodera (MSKCC) committed Feb 25, 2015
  
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- Updates to try to get travis to build pdbfixer-dev and push to binstar. · 88e49e3d
  John Chodera (MSKCC) committed Feb 25, 2015
  
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- Merge remote-tracking branch 'upstream/master' · 93663581
  John Chodera (MSKCC) committed Feb 25, 2015
  
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20 Feb, 2015 2 commits
- Merge pull request #74 from peastman/travis · db272571
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Travis builds against openmm-dev
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  peastman committed Feb 20, 2015
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- Travis builds against openmm-dev · 03f803b4
  peastman committed Feb 20, 2015
  
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19 Feb, 2015 1 commit
- Merge pull request #73 from peastman/ids · caf911c4
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Eliminated most dependence on PdbStructure
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  peastman committed Feb 18, 2015
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18 Feb, 2015 3 commits
- Merge branch 'master' of https://github.com/SimTk/pdbfixer · 39f81e3b
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Conflicts:
	pdbfixer/ui.py
```
  peastman committed Feb 17, 2015
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- Merge branch 'peastman-ids' · 4ea8b0bf
  peastman committed Feb 17, 2015
  
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- Eliminated most dependence on PdbStructure · e41a190b
  peastman committed Feb 17, 2015
  
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13 Feb, 2015 1 commit
- Merge pull request #40 from mpharrigan/py3 · 06591a81
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Py3
```
  peastman committed Feb 12, 2015
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11 Feb, 2015 2 commits
- Run travis on py3 · cad7e8ae
  Matthew Harrigan committed Feb 10, 2015
  
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- Some bytes issues · ddd45d37
  Matthew Harrigan committed Feb 10, 2015
  
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10 Feb, 2015 2 commits
- Print function · a5e76b21
  Matthew Harrigan committed Feb 10, 2015
  
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- Python3-compatible imports · 05fea2f4
  Matthew Harrigan committed Feb 10, 2015
  
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27 Nov, 2014 1 commit
- Merge pull request #70 from peastman/master · d3f014a5
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When loading a local file through GUI, record the source filename
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  peastman committed Nov 26, 2014
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26 Nov, 2014 1 commit
- When loading a local file through GUI, record the source filename · ffa808a3
  peastman committed Nov 26, 2014
  
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