Navaza J
CNRS-GIF, LGV, 91198 Gif-sur-Yvette, France.
Acta Crystallogr D Biol Crystallogr. 2001 Oct;57(Pt 10):1367-72. doi: 10.1107/s0907444901012422. Epub 2001 Sep 21.
An account is given of the molecular replacement method as implemented in the package AMoRe. The overall strategy of the method is presented and the main functions used in the package are described. The most important features of AMoRe are the quality of the fast rotation and translation functions and the facility of multiple inputs to translation and rigid-body refinement functions, which allow for a fast multiple exploration of crystal configurations with a high level of automation.
本文介绍了AMoRe软件包中实现的分子置换方法。阐述了该方法的总体策略,并描述了软件包中使用的主要功能。AMoRe最重要的特点是其快速旋转和平移函数的质量,以及翻译和刚体精修函数的多输入便利性,这使得能够高度自动化地快速多次探索晶体构型。