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Zeitschrift für Kristallographie - Crystalline Materials

Ed. by Antipov, Evgeny / Bismayer, Ulrich / Huppertz, Hubert / Petrícek, Václav / Pöttgen, Rainer / Schmahl, Wolfgang / Tiekink, E. R. T. / Zou, Xiaodong

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Towards automated protein structure determination: BnP, the SnB-PHASES interface

C. M. Weeks / R. H. Blessing / R. Miller / R. Mungee / S. A. Potter / J. Rappleye / G. D. Smith / H. Xu / W. Furey

Citation Information: Zeitschrift für Kristallographie/International journal for structural, physical, and chemical aspects of crystalline materials. Volume 217, Issue 12/2002, Pages 686–693, ISSN (Print) 0044-2968, DOI: 10.1524/zkri.217.12.686.20659, September 2009

Publication History

Published Online:
2009-09-25

Abstract

The direct-methods program SnB provides an efficient means for solving protein substructures containing many heavy-atom sites (current record: 160). In order to meet the high-throughput requirements of structural genomics projects, substructure determination needs to be tightly integrated with other aspects of the protein-phasing process. This has been accomplished through the design of a common Java interface, BnP, for SnB and components of PHASES, a popular and proven program suite that provides all the tools necessary to proceed from substructure refinement to the computation of an unambiguous protein electron-density map. Therefore, BnP will facilitate a high degree of automation and enable rapid structure determination by both experienced and novice crystallographers.

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