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  • jdurrant
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Update pdb code

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Merged Jacob Spiegel requested to merge update_pdb_code into jacob Aug 07, 2019
  • Overview 0
  • Commits 12
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  • Changes 41

Updated pdb writers. update gypsum and dimorphite made the loops for Crossover and mutation simplier and faster. Added remarks to pdb files to include original smiles strings. Updated gypsum submit json to use the new durrant_filter Added a bash script to update the gypsum and dimorphite files.

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Source branch: update_pdb_code