Molecular replacement with MOLREP

被引:3159
作者
Vagin, Alexei [1 ]
Teplyakov, Alexei [2 ]
机构
[1] Univ York, Struct Biol Lab, York YO10 5YW, N Yorkshire, England
[2] Univ Maryland, Inst Biotechnol, Rockville, MD 20850 USA
来源
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY | 2010年 / 66卷
基金
英国生物技术与生命科学研究理事会;
关键词
TRANSLATION FUNCTION; PIPELINE; CRYSTALLOGRAPHY; SOFTWARE; PROGRAM; SEARCH; SUITE;
D O I
10.1107/S0907444909042589
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
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.
引用
收藏
页码:22 / 25
页数:4
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