<i>Mercury CSD 2.0</i>– new features for the visualization and investigation of crystal structures
Clare F. MacraeCambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UKIan BrunoCambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UKJames A. ChisholmCambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UKPaul R. EdgingtonCambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UKPatrick McCabeCambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UKElna PidcockCambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UKLucía Rodríguez-MongeCambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UKRobin TaylorCambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UKJacco van de StreekCambridge Crystallographic Data Centre, 12 Union Road Cambridge CB2 1EZ, UKP.A. WoodCambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK
2008en
ABI
Аннотация
The program Mercury , developed by the Cambridge Crystallographic Data Centre, is designed primarily as a crystal structure visualization tool. A new module of functionality has been produced, called the Materials Module , which allows highly customizable searching of structural databases for intermolecular interaction motifs and packing patterns. This new module also includes the ability to perform packing similarity calculations between structures containing the same compound. In addition to the Materials Module , a range of further enhancements to Mercury has been added in this latest release, including void visualization and links to ConQuest , Mogul and IsoStar .
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