- 10 Feb, 2016 1 commit
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Specify water box dimensions with JS enhanced padding field
peastman committed
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- 09 Feb, 2016 1 commit
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Jaime RG committed
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- 27 Jan, 2016 1 commit
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Jaime RGP committed
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- 19 Jan, 2016 2 commits
- 01 Sep, 2015 4 commits
- 28 Aug, 2015 1 commit
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Fix issue with mutations when chain appears in multiple places in PDB file separated by other chains.
Chodera committed
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- 08 Aug, 2015 1 commit
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[WIP] Added support for loading PDBx/mmCIF files
peastman committed
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- 07 Aug, 2015 3 commits
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Peter Eastman committed
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Peter Eastman committed
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Peter Eastman committed
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- 06 Aug, 2015 1 commit
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Peter Eastman committed
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- 05 Aug, 2015 2 commits
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Removed the remaining internal dependence on PdbStructure
peastman committed -
Peter Eastman committed
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- 04 Aug, 2015 2 commits
- 03 Aug, 2015 2 commits
- 21 Jul, 2015 2 commits
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Migrate to the new container architecture.
peastman committed -
Jason Swails committed
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- 20 Jul, 2015 6 commits
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Test case doesn't download PDB as many times
peastman committed -
Peter Eastman committed
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Peter Eastman committed
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Peter Eastman committed
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Added --pdbid, --url, and --verbose flags.
peastman committed -
John Chodera (MSKCC) committed
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- 19 Jul, 2015 8 commits
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John Chodera (MSKCC) committed
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John Chodera (MSKCC) committed
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John Chodera (MSKCC) committed
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John Chodera (MSKCC) committed
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John Chodera (MSKCC) committed
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John Chodera (MSKCC) committed
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John Chodera (MSKCC) committed
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John Chodera (MSKCC) committed
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- 18 Jul, 2015 2 commits
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John Chodera (MSKCC) committed
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* 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
John Chodera (MSKCC) committed
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- 06 Jul, 2015 1 commit
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Cowardly refuse to install unless openmm >= 6.3 is installed
peastman committed
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