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Comparison of Segger and other methods for segmentation and rigid‐body docking of molecular components in Cryo‐EM density maps
Author(s) -
Pintilie Grigore,
Chiu Wah
Publication year - 2012
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.22074
Subject(s) - docking (animal) , segmentation , chemistry , rigid body , cryo electron microscopy , crystallography , artificial intelligence , biological system , computer science , physics , biology , biochemistry , medicine , nursing , classical mechanics
Segmentation and docking are useful methods for the discovery of molecular components in electron cryo‐microscopy (cryo‐EM) density maps of macromolecular complexes. In this article, we describe the segmentation and docking methods implemented in Segger . For 11 targets posted in the 2010 cryo‐EM challenge, we segmented the regions corresponding to individual molecular components using Segger . We then used the segmented regions to guide rigid‐body docking of individual components. Docking results were evaluated by comparing the docked components with published structures, and by calculation of several scores, such as atom inclusion, density occupancy, and geometry clash. The accuracy of the component segmentation using Segger and other methods was assessed by comparing segmented regions with docked components. © 2012 Wiley Periodicals, Inc. Biopolymers 97: 742–760, 2012.