doi: 10.1107/S0907444909042589.
Epub 2009 Dec 21.
Molecular replacement with MOLREP
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- PMID: 20057045
- DOI: 10.1107/S0907444909042589
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Molecular replacement with MOLREP
Acta Crystallogr D Biol Crystallogr.
2010 Jan.
Abstract
MOLREP is an automated program for molecular replacement that utilizes a number of original approaches to rotational and translational search and data preparation. Since the first publication describing the program, MOLREP has acquired a variety of features that include weighting of the X-ray data and search models, multi-copy search, fitting the model into electron density, structural superposition of two models and rigid-body refinement. The program can run in a fully automatic mode using optimized parameters calculated from the input data.
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