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Mercury 4.0: from visualization to analysis, design and prediction

Journal of Applied Crystallography · 2019 · Vol. 53(1) · pp. 226–235

Clare F. Macrae✉(Cambridge Crystallographic Data Centre)Ioana Şovago(Cambridge Crystallographic Data Centre)Simon J. Cottrell(Cambridge Crystallographic Data Centre)Peter T. A. Galek(Cambridge Crystallographic Data Centre)Patrick McCabe(Cambridge Crystallographic Data Centre)Elna Pidcock(Cambridge Crystallographic Data Centre)Michael Platings(Cambridge Crystallographic Data Centre)G.P. Shields(Cambridge Crystallographic Data Centre)Joanna S. Stevens(Cambridge Crystallographic Data Centre)Matthew Towler(Cambridge Crystallographic Data Centre)P.A. Wood(Cambridge Crystallographic Data Centre)

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Abstract

The program Mercury, developed at the Cambridge Crystallographic Data Centre, was originally designed primarily as a crystal structure visualization tool. Over the years the fields and scientific communities of chemical crystallography and crystal engineering have developed to require more advanced structural analysis software. Mercury has evolved alongside these scientific communities and is now a powerful analysis, design and prediction platform which goes a lot further than simple structure visualization.

Cold Fusion and Nuclear Reactions Mercury impact and mitigation studies Laser-induced spectroscopy and plasmaVisualizationMercury (programming language)Scientific visualizationSoftwareComputer scienceData visualizationData scienceComputer graphics (images)Data miningProgramming language

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References

Mercury CSD 2.0– new features for the visualization and investigation of crystal structures