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Revisions №56939

branch: master 「№56939」
Commited by: Rocco Moretti
GitHub commit link: 「19a616a3a6080869」
Difference from previous tested commit:  code diff
Commit date: 2014-06-13 15:38:11

Add text parsing to BOND_TYPE lines Instead of SDF-based numerical values, you can now use text designations (like ARO or DELOCALIZED) to specify bond types in params files. Database files have been updated to use the new scheme, but molfile_to_params.py will still output the old numeric values. No substantive test changes expected. (Standard numeric variablilty with ligand_dock_script encountered.)

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