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Mercury CSD 2.0 – new features for the visualization and investigation of crystal structures
Author(s) -
Macrae Clare F.,
Bruno Ian J.,
Chisholm James A.,
Edgington Paul R.,
McCabe Patrick,
Pidcock Elna,
RodriguezMonge Lucia,
Taylor Robin,
Van De Streek Jacco,
Wood Peter A.
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/s0021889807067908
Subject(s) - visualization , mercury (programming language) , crystal structure , void (composites) , intermolecular force , computer science , materials science , crystallography , nanotechnology , chemistry , molecule , data mining , programming language , organic chemistry , composite material
The program Mercury , developed by the Cambridge Crystallographic Data Centre, is designed primarily as a crystal structure visualization tool. A new module of functionality has been produced, called the Materials Module , which allows highly customizable searching of structural databases for intermolecular interaction motifs and packing patterns. This new module also includes the ability to perform packing similarity calculations between structures containing the same compound. In addition to the Materials Module , a range of further enhancements to Mercury has been added in this latest release, including void visualization and links to ConQuest , Mogul and IsoStar .