Commits · 53e59cd5957f5224ddc9d4b1825f8536098a396c · open / pdbfixer · GitLab

28 Mar, 2014 18 commits
- Removed old build-only test. · 53e59cd5
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Combined build and simulate tests. · e16ab084
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Added simulation test, and cleaned up tests a bit. · 24ca9600
```
We still only test one PDB file, however.
```
  John Chodera (MSKCC) committed Mar 28, 2014
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- Removed debug code. · fc191ebd
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Updated .travis.yml and test build. · f902ca3d
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Added debug code to test why travis-ci is failing. · da0fa01c
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Updated tests to use URL download. · 00469843
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Added some problematic PDB codes. · 19e9c1f4
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Sigh. · d67c3843
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Think this will work. · b248e7de
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Another attempt. · 32d4701b
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Another attempt. · f492c5e8
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Another attempt at travis-ci fix. · a92b70e5
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Added setuptools to travis-ci test. · 1fac2e24
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Fixed PATH after conda install. · d9e0c71c
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Fixed path for OpenMM conda package. · 39311734
  John Chodera (MSKCC) committed Mar 28, 2014
  
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- Updated README with travis-ci badge. · 79d49908
  John Chodera (MSKCC) committed Mar 27, 2014
  
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- Added draft .travis.yml · f43eb11f
  John Chodera (MSKCC) committed Mar 27, 2014
  
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27 Mar, 2014 2 commits
- Merge pull request #15 from rmcgibbo/urlchange · 7a33eebb
```
Change the base url of the project
```
  peastman committed Mar 27, 2014
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- Change the base url of the project · fa4d9e57
  Robert McGibbon committed Mar 27, 2014
  
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25 Mar, 2014 1 commit
- Merge pull request #13 from rmcgibbo/package · 9f149d4e
```
Package up PDBFixer
```
  peastman committed Mar 25, 2014
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24 Mar, 2014 7 commits
- Make createSoftForceField python3 compatible · 4c104519
  Robert McGibbon committed Mar 23, 2014
  
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- newline · 8d6677ab
  Robert McGibbon committed Mar 23, 2014
  
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- Add checks for dependencies · b7be963a
  Robert McGibbon committed Mar 23, 2014
  
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- Change manual for install instructions · 842fd016
  Robert McGibbon committed Mar 23, 2014
  
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- forgot one file · e36654d7
  Robert McGibbon committed Mar 23, 2014
  
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- make it possible to kill with control c · bce5e5f4
  Robert McGibbon committed Mar 23, 2014
  
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- more stuff · 49d89de2
  Robert McGibbon committed Mar 23, 2014
  
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13 Mar, 2014 1 commit
- Changes to work on Python 3 · 111fd4c0
  peastman committed Mar 13, 2014
  
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18 Dec, 2013 2 commits
- Merge pull request #9 from kyleabeauchamp/patch-2 · 16e09ec4
```
Added manual link to Readme.md
```
  peastman committed Dec 18, 2013
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- Added manual link to Readme.md · 724316c5
  kyleabeauchamp committed Dec 18, 2013
  
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08 Oct, 2013 1 commit
- Added lots of examples to the manual, plus some other fixes. · 021d1634
  Peter Eastman committed Oct 08, 2013
  
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04 Oct, 2013 1 commit
- Created User Manual · 2e3bc651
  Peter Eastman committed Oct 04, 2013
  
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03 Oct, 2013 3 commits
- Display a warning message when Javascript is disabled · 9bb7859d
  Peter Eastman committed Oct 03, 2013
  
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- Created a more full featured command line interface · bf424e2f
  Peter Eastman committed Oct 03, 2013
  
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- Added docstrings · 1ad6a459
  Peter Eastman committed Oct 03, 2013
  
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21 Sep, 2013 1 commit
- Added option to add a water box · edd39ec2
  Peter Eastman committed Sep 20, 2013
  
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20 Sep, 2013 1 commit
- Show 'processing' message while doing computations · 907e7708
  Peter Eastman committed Sep 20, 2013
  
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18 Sep, 2013 2 commits
- Improved handling of nonstandard nucleotides · 830d6c7f
  Peter Eastman committed Sep 18, 2013
  
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- Added option to download files directly from RCSB · 8d902d07
  Peter Eastman committed Sep 17, 2013
  
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