Mercury 4.0: from visualization to analysis, design and prediction

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...

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Autores principales: 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.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Computer Programs
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6998782/
https://www.ncbi.nlm.nih.gov/pubmed/32047413
http://dx.doi.org/10.1107/S1600576719014092
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author 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.
author_facet 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.
author_sort Macrae, Clare F.
collection PubMed
description 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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spelling pubmed-69987822020-02-11 Mercury 4.0: from visualization to analysis, design and prediction 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. J Appl Crystallogr Computer Programs 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. International Union of Crystallography 2020-02-01 /pmc/articles/PMC6998782/ /pubmed/32047413 http://dx.doi.org/10.1107/S1600576719014092 Text en © Clare F. Macrae et al. 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Computer Programs
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.
Mercury 4.0: from visualization to analysis, design and prediction
title Mercury 4.0: from visualization to analysis, design and prediction
title_full Mercury 4.0: from visualization to analysis, design and prediction
title_fullStr Mercury 4.0: from visualization to analysis, design and prediction
title_full_unstemmed Mercury 4.0: from visualization to analysis, design and prediction
title_short Mercury 4.0: from visualization to analysis, design and prediction
title_sort mercury 4.0: from visualization to analysis, design and prediction
topic Computer Programs
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6998782/
https://www.ncbi.nlm.nih.gov/pubmed/32047413
http://dx.doi.org/10.1107/S1600576719014092
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