Recent developments in classical density modification

被引:365
作者
Cowtan, Kevin [1 ]
机构
[1] Univ York, Dept Chem, York YO10 5DD, N Yorkshire, England
来源
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY | 2010年 / 66卷
关键词
RECIPROCAL-SPACE; MOLECULAR REPLACEMENT; REFINEMENT; BIAS; CRYSTALLOGRAPHY; COEFFICIENTS; RESOLUTION; SOFTWARE; SUITE;
D O I
10.1107/S090744490903947X
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
Classical density-modification techniques (as opposed to statistical approaches) offer a computationally cheap method for improving phase estimates in order to provide a good electron-density map for model building. The rise of statistical methods has lead to a shift in focus away from the classical approaches; as a result, some recent developments have not made their way into classical density-modification software. This paper describes the application of some recent techniques, including most importantly the use of prior phase information in the likelihood estimation of phase errors within a classical density-modification framework. The resulting software gives significantly better results than comparable classical methods, while remaining nearly two orders of magnitude faster than statistical methods.
引用
收藏
页码:470 / 478
页数:9
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