title: UCSF Chimera, MODELLER, and IMP: an integrated modeling system.
abstract: Structural modeling of macromolecular complexes greatly benefits from interactive visualization capabilities. Here we present the integration of several modeling tools into UCSF Chimera. These include comparative modeling by MODELLER, simultaneous fitting of multiple components into electron microscopy density maps by IMP MultiFit, computing of small-angle X-ray scattering profiles and fitting of the corresponding experimental profile by IMP FoXS, and assessment of amino acid sidechain conformations based on rotamer probabilities and local interactions by Chimera.
authors.affiliation: Resource for Biocomputing, Visualization, and Informatics, Department of Pharmaceutical Chemistry, University of California, San Francisco, San Francisco, CA 94158, USA.
authors.forename: Zheng
authors.initials: Z
authors.lastname: Yang
authors.forename: Keren
authors.initials: K
authors.lastname: Lasker
authors.forename: Dina
authors.initials: D
authors.lastname: Schneidman-Duhovny
authors.forename: Ben
authors.initials: B
authors.lastname: Webb
authors.forename: Conrad C
authors.initials: CC
authors.lastname: Huang
authors.forename: Eric F
authors.initials: EF
authors.lastname: Pettersen
authors.forename: Thomas D
authors.initials: TD
authors.lastname: Goddard
authors.forename: Elaine C
authors.initials: EC
authors.lastname: Meng
authors.forename: Andrej
authors.initials: A
authors.lastname: Sali
authors.forename: Thomas E
authors.initials: TE
authors.lastname: Ferrin
mesh_terms: D000595:Amino Acid Sequence; D000818:Animals; D002417:Cattle; D003198:Computer Simulation; D029968:Escherichia coli Proteins / Q000737:chemistry; D006360:Heat-Shock Proteins / Q000737:chemistry; D046911:Macromolecular Substances / Q000737:chemistry; D008958:Models, Molecular; D008969:Molecular Sequence Data; D011487:Protein Conformation; D021122:Protein Subunits / Q000737:chemistry; D053838:Scattering, Small Angle; D012984:Software; D040681:Structural Homology, Protein; D014961:X-Ray Diffraction
chemical_list: D029968:Escherichia coli Proteins; C028715:GroE protein, E coli; D006360:Heat-Shock Proteins; D046911:Macromolecular Substances; D021122:Protein Subunits