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J Struct Funct Genomics. 2012 Jun;13(2):81-90. doi: 10.1007/s10969-012-9129-3. Epub 2012 Mar 15.

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

Author information

1
Los Alamos Institutes and BioScience Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA. terwilliger1@earthlink.net

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.

PMID:
22418934
PMCID:
PMC3375004
DOI:
10.1007/s10969-012-9129-3
[Indexed for MEDLINE]
Free PMC Article
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