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GDASH: a grid-enabled program for structure solution from powder diffraction data

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Griffin, T. A. N., Shankland, K., van de Streek, J. V. and Cole, J. (2009) GDASH: a grid-enabled program for structure solution from powder diffraction data. Journal of Applied Crystallography, 42 (2). pp. 356-359. ISSN 0021-8898

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To link to this article DOI: 10.1107/S0021889809006840

Abstract/Summary

The simulated annealing approach to structure solution from powder diffraction data, as implemented in the DASH program, is easily amenable to parallelization at the individual run level. Very large scale increases in speed of execution can therefore be achieved by distributing individual DASH runs over a network of computers. The GDASH program achieves this by packaging DASH in a form that enables it to run under the Univa UD Grid MP system, which harnesses networks of existing computing resources to perform calculations.

Item Type:Article
Refereed:Yes
Divisions:Faculty of Life Sciences > School of Chemistry, Food and Pharmacy > School of Pharmacy > Pharmaceutics Research Group
ID Code:1822
Uncontrolled Keywords:distributed computing • structure solution from powder diffraction data • DASH
Additional Information:Times Cited: 0
Publisher:Wiley-Blackwell Publishing, Inc

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