BUNYIP: In search of errant symmetry

被引:16
作者
Hester, JR
Hall, SR
机构
关键词
D O I
10.1107/S0021889896002282
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
BUNYIP is a computer program for detecting additional symmetry in a crystal structure. It searches for points, lines or places that form the common loci for midpoints of vectors between atom sites related by non-space-group symmetry. These signal the existence of additional inversion centres, twofold rotation and screw axes or mirror and glide planes. This software is available as part of the XtaL_GX and Xtal3.4 packages, which also provide software for visualization of the new symmetry elements.
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页码:474 / 478
页数:5
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