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BUNYIP : in search of errant symmetry
Author(s) -
Hester J. R.,
Hall S. R.
Publication year - 1996
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889896002282
Subject(s) - symmetry (geometry) , rotational symmetry , point reflection , rotation (mathematics) , midpoint , software , symmetry operation , physics , mirror symmetry , inversion (geology) , geometry , crystallography , computer science , mathematics , condensed matter physics , geology , chemistry , quantum mechanics , paleontology , structural basin , programming language
BUNYIP is a computer program for detecting additional symmetry in a crystal structure. It searches for points, lines or planes 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 Xtal 3.4 packages, which also provide software for visualization of the new symmetry elements.