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