PHENIX : building new software for automated crystallographic structure determination

PHENIX: разработка нового программного обеспечения для автоматизированного определения кристаллографических структур
Nicholas K. Sauter, Ralf W. Grosse‐Kunstleve, Paul D. Adams, Randy J. Read, Nigel W. Moriarty, Thomas C. Terwilliger, Airlie J. McCoy, Li‐Wei Hung, Thomas R. Ioerger, James C. Sacchettini
2002-10-21

PHENIXautomated structure determinationmacromolecular crystallographyprotein structure determinationstructural genomics
Structural genomics seeks to expand rapidly the number of protein structures in order to extract the maximum amount of information from genomic sequence databases. The advent of several large-scale projects worldwide leads to many new challenges in the field of crystallographic macromolecular structure determination. A novel software package called PHENIX (Python-based Hierarchical ENvironment for Integrated Xtallography) is therefore being developed. This new software will provide the necessary algorithms to proceed from reduced intensity data to a refined molecular model and to facilitate structure solution for both the novice and expert crystallographer.
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PHENIX aims to facilitate automated structure solution for both novice and expert crystallographers.
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PHENIX is being developed as a Python-based hierarchical environment integrating algorithms for macromolecular crystallography.
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Structural genomics creates a need for scalable crystallographic software capable of processing many protein structures efficiently.
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The package is intended to support the workflow from reduced diffraction-intensity data through refined molecular-model generation.

PHENIX software package for automated crystallographic macromolecular structure determination

software algorithms and integrated workflow for converting reduced intensity data into refined molecular models and facilitating structure solution

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Publication Date
2002-10-21
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Authors
Nicholas K. Sauter
Ralf W. Grosse‐Kunstleve
Paul D. Adams
Randy J. Read
Nigel W. Moriarty
Thomas C. Terwilliger
Airlie J. McCoy
Li‐Wei Hung
Thomas R. Ioerger
James C. Sacchettini
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