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Revisions №56466

branch: master 「№56466」
Commited by: Roland Pache
GitHub commit link: 「4cd4eaed30085f05」
Difference from previous tested commit:  code diff
Commit date: 2014-03-07 19:05:16

Added pilot app for scoring protein-ligand interactions. Separately for each ligand in the pose, calculates the weighted two-body interaction energy between all residues and the given ligand. The output consists of a sorted list of ligand-residue pairs and their weighted two-body interaction energies (total, as well as per score-term), with the residues that contribute most to ligand-binding listed first. No test changes expected.

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