Phenix.mr-rosetta: Molecular replacement and model rebuilding with Phenix and Rosetta

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. © The Author(s) 2012.