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Mercury 2.3

Crystal structure visualisation and exploration.

License / Price:
Freeware / Free
Last Updated:
2011-11-24
Operating System:
Mac OS X
Publisher:
The Cambridge Crystallographic Data Centre

Description of Mercury 2.3

EditByBSEditor: Mercury - Crystal Structure Visualisation and Exploration Made Easy

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

A base version of Mercury is available as a free download. If you hold a current CSDS licence further features can be accessed by registering Mercury. Mercury features that are available only to CSDS licencees are identified by a small CCDC logo, for example

Licenced Mercury features include:

* options for displaying multiple structures simultaneously and performing least-squares Overlay of pairs of structures
* the ability to manually edit structures, or to automatically assign bond-types, standardise bond-types to CSD conventions and to add missing hydrogen atoms
* the ability to calculate graph sets
* the ability to view structures in stereo assuming the correct hardware is available (not Mac OS X)
* an interface to MOPAC (2007 and newer) which allows users to perform a limited number of molecule-based gas phase calculations
* display of space-GROUP symmetry elements
* calculation and display of voids (free space in crystal structures)
* links to libraries of of intra and inter-molecular geometry (Mogul and IsoStar)
* a Materials module which includes functionality for:
o identifying interaction motifs that occur between particular functional groups, and their relative abundance
o finding similar packing arrangements to the loaded crystal structure
o calculating crystal packing similarity between structures containing the same compound

Requirements: Mac OS X 10.5 or higher
Platform: PowerPC / Intel

Download Mercury 2.3

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