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Revisions №60277

branch: master 「№60277」
Commited by: Jared Adolf-Bryfogle
GitHub commit link: 「6f59745c598e398f」 「№3165」
Difference from previous tested commit:  code diff
Commit date: 2018-06-28 12:05:12

Merge pull request #3165 from RosettaCommons/raemisch/DensityScoreResidueSelector DensityFitResidueSelector This ResidueSelector aims to select residues that have good fit (default) /bad fit (invert) into electron density. Uses either a Zscore made up of density, nbr_density, rama/sugar_bb (for glycans), and cartesian geometry OR the correlation to density that is used internally to determine the density score. The Zscore has been adapted and refactored from `FragmentBiasAssigner`, which is used to determine poor density in hybridize. Thanks to @fdimaio for his help in this! Numbers and cutoffs match well with Coot's density fit analysis tool. Additional options are present to give a residue selector as a mask, which either acts as a subset for `match_res` OR (by default) acts to only calculate the Zscore among those residues (which CAN be turned off). This is VERY important for glycans or other poorly-resolved residues, or the zscore will be inherently bad for all of them due to the protein bias.