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Revisions №59610

branch: master 「№59610」
Commited by: Sharon Guffy
GitHub commit link: 「c09499a04b43c522」 「№2408」
Difference from previous tested commit:  code diff
Commit date: 2017-08-04 09:09:06

Merge pull request #2408 from RosettaCommons/guffysl/set_up_metals_manually Adds additional tools for handling metals and metal-containing ligands in Rosetta. MetalContactsConstraintGenerator adds distance, angle, and dihedral constraints between (optionally specified) contacts and a user-specified metal atom, either as a single ion or as part of a ligand. LigandMetalContactSelector identifies and selects residues that form contacts with selected metal-containing residues.