Grosse-Kunstleve R W, Adams P D
Lawrence Berkeley National Laboratory, One Cyclotron Road, Mail Stop 4-230, Berkeley, CA 94720, USA.
Acta Crystallogr D Biol Crystallogr. 2001 Oct;57(Pt 10):1390-6. doi: 10.1107/s090744490101246x. Epub 2001 Sep 21.
This paper presents a review of the principles of molecular replacement with the audience of the CCP4 Study Weekend in mind. A complementary presentation with animated Patterson maps is available online (http://cci.lbl.gov/-rwgk/ccp4sw2001/). The implementation of molecular-replacement methods in the Crystallography and NMR System (CNS) is presented and discussed in some detail. The three principal components are the direct rotation function, Patterson correlation refinement and the fast translation function. CNS is available online and is free of charge for academic users.
本文以CCP4研究周末的受众为出发点,对分子置换原理进行了综述。一个配有动画帕特森图的补充演示可在网上获取(http://cci.lbl.gov/-rwgk/ccp4sw2001/)。本文还详细介绍并讨论了分子置换方法在晶体学与核磁共振系统(CNS)中的实现。三个主要组成部分是直接旋转函数、帕特森相关精修和快速平移函数。CNS可在线获取,对学术用户免费。