Crystal Structure Visualization, Exploration and Analysis
Mercury has a comprehensive range of tools for 3D crystal structure visualization and the exploration of crystal packing. It’s firmly established as the visualizer of choice within the crystallographic community.
Mercury is available in two versions:
- The free version through CSD-Community offers an abridged list of functionalities and access to a teaching subset of the Cambridge Structural Database (CSD).
- The licensed version (available in all of CCDC’s software suites) provides access to the full CSD – over 1.25 million structures – and extra functionality including molecule and structure editing and the visualization of voids. Learn about the full licence version of Mercury.
- Compare the features available in free and in full Mercury here.
Generate stunning 3D images
Mercury has a vast number of options for customizing display settings and is widely used for the generation of publication-quality images. A Style Manager contains a number of pre-defined display styles for work, publication and presentation and also provides the ability to preserve and share your own custom display settings. Stunning 3D images created using Mercury can be exported in a variety of common formats. In addition, it is possible to render high-quality ray-traced images using POV-Ray.
Easy data load
Mercury is able to load structural data from a variety of formats and provides an extensive array of options to aid the investigation and analysis of crystal structures.
Multiple options to view structures
Generate packing diagrams of any number of unit cells in any direction, define and visualize least-squares and Miller planes, and take a slice through a crystal in any direction. Simulated diffraction patterns can be calculated for any displayed crystal structure.
Gain an understanding of the key interactions that drive crystal packing
Locate and display hydrogen bonds, short non-bonded contacts, and user-specified types of contacts e.g. chlorine...oxygen contacts in the range 2-4Å. Build and explore networks of intermolecular contacts.