Macromolecular structure modeling from 3D EM using VolRover 2.0.

ABSTRACT: We review tools for structure identification and model-based refinement from three-dimensional electron microscopy implemented in our in-house software package, VOLROVER 2.0. For viral density maps with icosahedral symmetry, we segment the capsid, polymeric, and monomeric subunits using techniques based on automatic symmetry detection and multidomain fast marching. For large biomolecules without symmetry information, we again use our multidomain fast-marching method with manual or fit-based multiseeding to segment meaningful substructures. In either case, we subject the resulting segmented subunit to secondary structure detection when the EM resolution is sufficiently high, and rigid-body structure fitting when the corresponding X-ray structure is available. Secondary structure elements ar

SUBMITTER: Zhang Q 

PROVIDER: S-EPMC3511818 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature