phenix.mr_rosetta: molecular replacement and model rebuilding with Phenix and Rosetta.
|Title||phenix.mr_rosetta: molecular replacement and model rebuilding with Phenix and Rosetta.|
|Publication Type||Journal Article|
|Year of Publication||2012|
|Authors||Terwilliger, T. C., DiMaio F., Read R. J., Baker D., Bunkóczi G., Adams P. D., Grosse-Kunstleve R. W., Afonine P. V., & Echols N.|
|Journal||Journal of structural and functional genomics|
|Date Published||2012 Jun|
|Keywords||Algorithms, 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 Journal||J. Struct. Funct. Genomics|