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Acta Crystallogr D Biol Crystallogr. 2010 Jan;66(Pt 1):22-5. doi: 10.1107/S0907444909042589. Epub 2009 Dec 21.

Molecular replacement with MOLREP.

Author information

1
Structural Biology Laboratory, University of York, Heslington, York YO10 5YW, England. alexei@ysbl.york.ac.uk

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.

PMID:
20057045
DOI:
10.1107/S0907444909042589
[Indexed for MEDLINE]

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