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phenix.mr_rosetta: molecular replacement and model rebuilding with Phenix and Rosetta.

Published version
Peer-reviewed

Type

Article

Change log

Authors

Terwilliger, Thomas C 
Dimaio, Frank 
Read, Randy J 
Baker, David 
Bunkóczi, Gábor 

Abstract

The combination of algorithms from the structure-modeling field with those of crystallographic structure determination can broaden the range of templates that are useful for structure determination by the method of molecular replacement. Automated tools in phenix.mr_rosetta simplify the application of these combined approaches by integrating Phenix crystallographic algorithms and Rosetta structure-modeling algorithms and by systematically generating and evaluating models with a combination of these methods. The phenix.mr_rosetta algorithms can be used to automatically determine challenging structures. The approaches used in phenix.mr_rosetta are described along with examples that show roles that structure-modeling can play in molecular replacement.

Description

Keywords

Algorithms, Computational Biology, Crystallography, X-Ray, Databases, Protein, Internet, Macromolecular Substances, Magnetic Resonance Spectroscopy, Models, Molecular, Protein Conformation, Proteins, Proteomics, Software

Journal Title

J Struct Funct Genomics

Conference Name

Journal ISSN

1345-711X
1570-0267

Volume Title

13

Publisher

Springer Science and Business Media LLC
Sponsorship
Wellcome Trust (082961/Z/07/Z)
National Institute of General Medical Sciences (P01GM063210)