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Revisions №57248

branch: master 「№57248」
Commited by: nollikai
GitHub commit link: 「ffba37bbf059ce92」 「№75」
Difference from previous tested commit:  code diff
Commit date: 2014-09-04 18:28:24

Merge pull request #75 from RosettaCommons/nollikai/ClashBasedRepackShellSelector Adding ClashBasedRepackShellSelector to core/pack/task/residue_selector Created a new ResidueSelector that identifies residues that clash with any possible rotamer of all designable positions in a given PackerTask. This solves a problem I routinely encounter with distance-based repack shells, which never include the same residues I would have chosen from looking at the structure. Instead, this ResidueSelector can be used to define a repack shell that only includes residues whose side-chains clash with any rotamer of a design position, resulting in the selection of residues that I actually want to be repacked. This code was co-written with Roland Pache @rpache

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