<i>Mercury CSD 2.0</i>– new features for the visualization and investigation of crystal structures

説明

<jats:p>The program<jats:italic>Mercury</jats:italic>, 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<jats:italic>Materials Module</jats:italic>, 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<jats:italic>Materials Module</jats:italic>, a range of further enhancements to<jats:italic>Mercury</jats:italic>has been added in this latest release, including void visualization and links to<jats:italic>ConQuest</jats:italic>,<jats:italic>Mogul</jats:italic>and<jats:italic>IsoStar</jats:italic>.</jats:p>

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