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 |
| Volume | 13 |
| Issue | 2 |
| Pagination | 81-90 |
| Date Published | 2012 Jun |
| ISSN | 1570-0267 |
| Keywords | Algorithms, Computational Biology, Crystallography, X-Ray, Databases, Protein, Internet, Macromolecular Substances, Magnetic Resonance Spectroscopy, Models, Molecular, Primary Publication, Protein Conformation, Proteins, Proteomics, Software |
| 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. |
| DOI | 10.1007/s10969-012-9129-3 |
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| Alternate Journal | J. Struct. Funct. Genomics |