BUNYIP: In search of errant symmetry

被引：16
作者：
Hester, JR
Hall, SR
机构：
来源：
JOURNAL OF APPLIED CRYSTALLOGRAPHY | 1996年 / 29卷
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
相关论文
共 9 条
[1]   5,5'-DI(ANTHRACENECARBOXYLIC) ANHYDRIDE [J].
BLAKE, AJ ;
GRIMDITCH, RS ;
SCHRODER, M .
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1995, 51 :1472-1474
[2]  
FORTES AG, 1995, ACTA CRYSTALLOGR C, V51, P14
[3]  
HALL SR, 1995, XTAL 3 4 USERS MANUA
[4]   COMPUTER DERIVATION OF THE SYMMETRY ELEMENTS IMPLIED IN A STRUCTURE DESCRIPTION [J].
LEPAGE, Y .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1987, 20 :264-269
[5]   MISSYM-1.1 - A FLEXIBLE NEW RELEASE [J].
LEPAGE, Y .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1988, 21 :983-984
[6]   ALPHA,ALPHA-ALLO-TREHALOSE TRIHYDRATE [J].
LINDEN, A ;
LEE, CK .
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1995, 51 :1007-1012
[7]   MORE SPACE-GROUP CHANGES [J].
MARSH, RE ;
BERNAL, I .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1995, 51 :300-307
[8]  
Su G, 1995, ACTA CRYSTALLOGR C, V51, P681
[9]   METHYL 4-DIETHYLAMINO-2-FORMAMIDO-THIENO[2,3-D]PYRIMIDINE-6-CARBOXYLATE [J].
TSIVERIOTIS, P ;
HADJILIADIS, N ;
DAHAN, F ;
LAUSSAC, JP .
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1995, 51 :1607-1609
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