Fitting molecular fragments into electron density

Cowtan K

首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >Fitting molecular fragments into electron density

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Fitting molecular fragments into electron density

机译：合适的分子片段为电子密度

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Molecular replacement is a powerful tool for the location of large models using structure-factor magnitudes alone. When phase information is available, it becomes possible to locate smaller fragments of the structure ranging in size from a few atoms to a single domain. The calculation is demanding, requiring a six-dimensional rotation and translation search. A number of approaches have been developed to this problem and a selection of these are reviewed in this paper. The application of one of these techniques to the problem of automated model building is explored in more detail, with particular reference to the problem of sequencing a protein main-chain trace.

机译：分子置换是一种强大的工具大型模型的位置使用结构因子大小。可用,就可以找到小结构大小不等的片段一些原子一个域。要求,需要一个六维旋转和翻译搜索。这个问题和开发选择这些都是综述。这些技术的应用探讨了自动化模型建立的问题详细,特别参考测序一个蛋白质主链跟踪的问题。

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来源
《Acta crystallographica.Section D. Biological crystallography》 |2008年第1期|83-89|共7页
作者
Cowtan K;
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作者单位

Univ York, Dept Chem, York YO10 5DD, N Yorkshire, England;

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原文格式 PDF
正文语种英语
中图分类
关键词
Fragments; Electron density; SearchesCutter locationMACHINE SHOP PRACTICE;

机译：碎片,电子密度;SearchesCutterlocationMACHINE车间练习;

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Fitting molecular fragments into electron density

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