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Gyre and gimble : a maximum‐likelihood replacement for Patterson correlation refinement
Author(s) -
McCoy Airlie J.,
Oeffner Robert D.,
Millán Claudia,
Sammito Massimo,
Usón Isabel,
Read Randy J.
Publication year - 2018
Publication title -
acta crystallographica section d
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 7.374
H-Index - 138
ISSN - 2059-7983
DOI - 10.1107/s2059798318001353
Subject(s) - ocean gyre , orientation (vector space) , phaser , position (finance) , maximum likelihood , molecular replacement , algorithm , geometry , computer science , mathematics , geology , physics , statistics , biology , protein structure , acoustics , nuclear magnetic resonance , subtropics , finance , fishery , economics
Descriptions are given of the maximum‐likelihood gyre method implemented in Phaser for optimizing the orientation and relative position of rigid‐body fragments of a model after the orientation of the model has been identified, but before the model has been positioned in the unit cell, and also the related gimble method for the refinement of rigid‐body fragments of the model after positioning. Gyre refinement helps to lower the root‐mean‐square atomic displacements between model and target molecular‐replacement solutions for the test case of antibody Fab(26‐10) and improves structure solution with ARCIMBOLDO_SHREDDER .