Cowtan Kevin
Department of Chemistry, University of York, Heslington, York YO10 5DD, England.
Acta Crystallogr D Biol Crystallogr. 2008 Jan;64(Pt 1):83-9. doi: 10.1107/S0907444907033938. Epub 2007 Dec 5.
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.
分子置换是一种仅使用结构因子振幅来定位大型模型的强大工具。当有相位信息可用时，就有可能定位大小从几个原子到单个结构域不等的结构较小片段。这种计算要求很高，需要进行六维旋转和平移搜索。针对这个问题已经开发了许多方法，本文对其中一些方法进行了综述。本文更详细地探讨了其中一种技术在自动模型构建问题上的应用，特别是关于蛋白质主链追踪测序的问题。
