Mercury 4.0: from visualization to analysis, design and prediction. Issue 1 (25th November 2019)

• Record Type: Journal Article
• Authors: Macrae, Clare F.; Sovago, Ioana; Cottrell, Simon J.; Galek, Peter T. A.; McCabe, Patrick; Pidcock, Elna; Platings, Michael; Shields, Greg P.; Stevens, Joanna S.; Towler, Matthew; Wood, Peter A.
• Is Part Of: Journal of applied crystallography. Volume 53:Issue 1(2020)
• Page Start: 226
• Page End: 235
• Publication Date: 2019-11-25
• Subjects: Mercury -- computer programs -- crystal structure visualization -- structure comparison -- crystal packing; Crystallography -- Periodicals; 548.05
• DOI: 10.1107/S1600576719014092
• Languages: English
• ISSNs: 0021-8898

Abstract

Abstract : An overview of Mercury 4.0, an analysis, design and prediction platform that acts as a hub for the entire Cambridge Structural Database software suite, is presented. 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.