Mercury CSD 2.0– new features for the visualization and investigation of crystal structures
2008/03/08 by Clare F. Macrae, Ian Bruno, Ian J. Bruno +10 · 49 citations
Chemistry · Materials Science · #Crystallography and molecular interactions #X-ray Diffraction in Crystallography #Crystallization and Solubility Studies
paper · doi:10.1107/s0021889807067908
Abstract
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 .
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