Mercury CSD 2.0 - new features for the visualization and investigation of crystal structures

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 intermol...

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Bibliographic Details
Published in:Journal of applied crystallography 2008-04, Vol.41 (2), p.466-470
Main Authors: Macrae, Clare F, Bruno, Ian J, Chisholm, James A, Edgington, Paul R, McCabe, Patrick, Pidcock, Elna, Rodriguez-Monge, Lucia, Taylor, Robin, Van De Streek, Jacco, Wood, Peter A
Format: Article
Language:English
Online Access:Get full text
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Summary: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 Con Quest, Mogul and IsoStar.
ISSN:0021-8898
DOI:10.1107/60021889807067908