Mercury Crystal structure visualization and exploration made easy.
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visualization structure Crystal Structure Structure Visualisation Structure Exploration crystal

Mercury Description

Crystal structure visualization and exploration made easy. Mercury offers a comprehensive range of tools for structure visualisation and the exploration of crystal packing.Mercury is the application that makes crystal structure visualisation and exploration the most amazing thing you have ever seen. Here are some key features of "Mercury": · 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. What's New in This Release: Major new features: · New "Graph Sets" facility, for displaying H-bonding patterns, according to their Bernstein and Etter notation. · Support for hardware stereo added. · New "Labels" toolbar provides easy control over atom labelling, giving the ability to label atoms with many new properties. · Mercury now provides an interface to the MOPAC semiempirical quantum chemistry program, for use with MOPAC 2007 and newer. · Other changes · The Searches tab can now be separated from the Structure Navigator, so that both can be seen at the time.

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