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

Abstract

The programMercury, 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 theMaterials 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 theMaterials Module, a range of further enhancements toMercuryhas been added in this latest release, including void visualization and links toConQuest,MogulandIsoStar.