A multivariate likelihood siras function for phasing and model refinement

SkubákP.; MurshudovG.; PannuN.S.

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A multivariate likelihood siras function for phasing and model refinement

机译：siras可能性多元函数分阶段和模型优化

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A likelihood function based on the multivariate probability distribution of all observed structure-factor amplitudes from a single isomorphous replacement with anomalous scattering experiment has been derived and implemented for use in substructure refinement and phasing as well as macromolecular model refinement. Efficient calculation of a multidimensional integration required for function evaluation has been achieved by approximations based on the functions properties. The use of the function in both phasing and protein model building with iterative refinement was essential for successful automated model building in the test cases presented.

机译：基于多元的似然函数所有观察到的概率分布从一个单一的结构因子振幅同晶型与反常散射替换实验已经推导和实现在子结构优化和逐步使用大分子模型细化。有效的多维计算集成所需的功能评价被近似的基础上实现功能属性。逐步和蛋白质模型构建迭代的改进是成功的必要条件自动化测试用例建模提出了。

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《Acta crystallographica.Section D. Biological crystallography》 |2009年第10期|1051-1061|共11页
作者
SkubákP.; MurshudovG.; PannuN.S.;
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作者单位

York Structural Biology Laboratory, Chemistry Department, University of York, Heslington, York;

Biophysical Structural Chemistry, Leiden Institute of Chemistry, Leiden University, PO Box 9502;

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正文语种英语
中图分类化学;
关键词
Likelihood Functions; Multivariate; Function evaluationPhaseCASING INSPECTIONProbability distributionRefiningisomorphous substitution;

机译：似然函数;多元函数evaluationPhaseCASING INSPECTIONProbabilitydistributionRefiningisomorphous替换;

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A multivariate likelihood siras function for phasing and model refinement

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