Premium
Automatic searching of an asymmetric unit from the space‐group symbol
Author(s) -
Cascarano G.,
Giacovazzo C.,
Spagna R.
Publication year - 1991
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/s0021889891007896
Subject(s) - unit (ring theory) , symbol (formal) , group (periodic table) , space (punctuation) , simple (philosophy) , orthorhombic crystal system , space group , symmetry (geometry) , mathematics , combinatorics , computer science , arithmetic , physics , crystallography , geometry , chemistry , quantum mechanics , programming language , crystal structure , diffraction , x ray crystallography , philosophy , mathematics education , epistemology , operating system
A program for the automatic definition of an asymmetric unit is described. Starting from the space‐group symbol, an asymmetric unit is automatically calculated by means of a simple algorithm in the case of space groups up to the orthorhombic system. For higher symmetry a tabulation is used.