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

doi:10.1524/zkri.217.12.686.20659

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

Department of Computer Science and Engineering

University at Buffalo

SUNY Buffalo
University of Toronto
VA Medical Center
University of Pittsburgh

Research output: Contribution to journal › Article › peer-review

59 Scopus citations

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.

Original language	English
Pages (from-to)	686-693
Number of pages	8
Journal	Zeitschfrift fur Kristallographie
Volume	217
Issue number	12
DOIs	https://doi.org/10.1524/zkri.217.12.686.20659
State	Published - 2002

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

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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T1 - Towards automated protein structure determination

T2 - BnP, the SnB-PHASES interface

AU - Weeks, C. M.

AU - Blessing, R. H.

AU - Miller, R.

AU - Mungee, R.

AU - Potter, S. A.

AU - Rappleye, J.

AU - Smith, G. D.

AU - Xu, H.

AU - Furey, W.

PY - 2002

Y1 - 2002

N2 - 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.

AB - 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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DO - 10.1524/zkri.217.12.686.20659

M3 - Article

SN - 0044-2968

VL - 217

SP - 686

EP - 693

JO - Zeitschfrift fur Kristallographie

JF - Zeitschfrift fur Kristallographie

IS - 12

ER -

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

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