The design and implementation of SnB version 2.0

被引:373
作者
Weeks, CM
Miller, R
机构
[1] Hauptman Woodward Med Res Inst, Buffalo, NY 14203 USA
[2] SUNY Buffalo, Dept Comp Sci & Engn, Buffalo, NY 14260 USA
关键词
D O I
10.1107/S0021889898010504
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
SnB is a direct-methods program based on the Shake-and-Bake methodology. It has been used to solve difficult or large structures that could not be solved by traditional reciprocal-space routines based on the tangent formula. Recently, it has also been used to determine the Se sites in large seleno-methionyl-substituted proteins. SnB version 1.5 has been available for several years and is being used regularly in many laboratories. In this paper, we introduce SnB version 2.0, which incorporates a graphical user interface written in Java, a dynamic histogram display, and an interactive Java/VRML-based visualization facility. In addition, it provides the user with several utility routines and a variety of new algorithmic options.
引用
收藏
页码:120 / 124
页数:5
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