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Program CRYC3D for geometric computing in crystallography
Author(s) -
Urzhumtseva Ludmila,
Urzhumtsev Alexandre
Publication year - 2008
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/s0021889808003415
Subject(s) - scripting language , computer science , simple (philosophy) , reciprocal , mode (computer interface) , macro , principal (computer security) , feature (linguistics) , theoretical computer science , programming language , computer graphics (images) , computational science , human–computer interaction , operating system , philosophy , linguistics , epistemology
The computer program CRYC3D works with three‐dimensional crystallographic geometric objects or groups of them and calculates their basic geometric characteristics by a simple click in the menu. In particular, this includes vector operations in both direct and reciprocal spaces and cell transformations. Collecting basic crystallographic operations in a single and simple program helps crystallographers to avoid looking for `fast‐and‐dirty' scripts or using large and unwieldy packages and may be useful in everyday work. When running the program in its principal mode, macro‐operations are accompanied by a list of elementary geometric operations. This feature, together with the presence of a single‐command mode and online help, may be useful also as a teaching tool.