Mercury 4.0: from visualization to analysis, design and prediction

Journal of Applied Crystallography - Tập 53 Số 1 - Trang 226-235 - 2020
Clare F. Macrae1, Ioana Şovago1, Simon J. Cottrell1, Peter T. A. Galek1, Patrick McCabe1, Elna Pidcock1, Michael Platings1, G.P. Shields1, Joanna S. Stevens1, Matthew Towler1, P.A. Wood1
1Cambridge Crystallographic Data Centre, 12 Union Road Cambridge CB2 1EZ, UK

Tóm tắt

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.

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