Mercury 2021.3.0

Import structural data from various formats. Visualize, explore, and perform analysis of crystal structures. Open least-squares and Miller planes and the insides of a crystal in any direction, generate packing diagrams of different unit cells. View statistics and render 3D images.

Mercury offers a comprehensive range of tools for structure visualisation and the exploration of crystal packing.

Its features include: Input of hit-lists from ConQuest, or other format files such as CIF, PDB, MOL2 and MOLfile A full range of structure display styles The ability to measure and display distances, angles and torsion angles involving atoms, centroids and planes The ability to create and display centroids, least-squares mean planes and Miller planes The ability to display unit cell axes, the contents of any number of unit cells in any direction, or a slice through a crystal in any direction Location and display of intermolecular and/or intramolecular hydrogen bonds, short nonbonded contacts, and user-specified types of contacts The ability to build and visualise a network of intermolecular contacts The ability to show extra information about the structure on display, such as the chemical diagram (if available) and the atomic coordinates The ability to calculate, display and save the powder diffraction pattern for the structure on view The ability to save displays