International Tables for Crystallography

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Molecular replacement with MOLREP
A. Vagin and A. Teplyakov. International Tables for Crystallography (2012). Vol. F, ch. 13.5, pp. 364-366  [ doi:10.1107/97809553602060000843 ]

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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About International Tables for Crystallography

International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.