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

Titlephenix.mr_rosetta: molecular replacement and model rebuilding with Phenix and Rosetta.
Publication TypeJournal Article
Year of Publication2012
AuthorsTerwilliger, T. C., DiMaio F., Read R. J., Baker D., Bunkóczi G., Adams P. D., Grosse-Kunstleve R. W., Afonine P. V., & Echols N.
JournalJournal of structural and functional genomics
Date Published2012 Jun
KeywordsAlgorithms, Computational Biology, Crystallography, X-Ray, Databases, Protein, Internet, Macromolecular Substances, Magnetic Resonance Spectroscopy, Models, Molecular, Primary Publication, Protein Conformation, Proteins, Proteomics, Software

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.


Alternate JournalJ. Struct. Funct. Genomics