Recent developments in the PHENIX software for automated crystallographic structure determination.

Paul D Adams; Kreshna Gopal; Ralf W Grosse-Kunstleve; Li-Wei Hung; Thomas R Ioerger; Airlie J McCoy; Nigel W Moriarty; Reetal K Pai; Randy J Read; Tod D Romo; James C Sacchettini; Nicholas K Sauter; Laurent C Storoni; Thomas C Terwilliger

doi:10.1107/s0909049503024130

PubMed · 14646133

Recent developments in the PHENIX software for automated crystallographic structure determination.

Paul D Adams·Kreshna Gopal·Ralf W Grosse-Kunstleve·Li-Wei Hung·Thomas R Ioerger·Airlie J McCoy·Nigel W Moriarty·Reetal K Pai·Randy J Read·Tod D Romo·James C Sacchettini·Nicholas K Sauter·Laurent C Storoni·Thomas C Terwilliger

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Abstract

A new software system called PHENIX (Python-based Hierarchical ENvironment for Integrated Xtallography) is being developed for the automation of crystallographic structure solution. This will provide the necessary algorithms to proceed from reduced intensity data to a refined molecular model, and facilitate structure solution for both the novice and expert crystallographer. Here, the features of PHENIXare reviewed and the recent advances in infrastructure and algorithms are briefly described.

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Algorithms Binding Sites Computer Simulation Crystallography Database Management Systems Databases, Protein Information Storage and Retrieval Macromolecular Substances Models, Molecular Protein Binding Protein Conformation Proteins Sequence Analysis, Protein Software User-Computer Interface Journal Article Research Support, U.S. Gov't, Non-P.H.S.Research Support, U.S. Gov't, P.H.S.

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Paul D Adams, Kreshna Gopal, Ralf W Grosse-Kunstleve, Li-Wei Hung, Thomas R Ioerger, Airlie J McCoy, Nigel W Moriarty, Reetal K Pai, Randy J Read, Tod D Romo, James C Sacchettini, Nicholas K Sauter, Laurent C Storoni, Thomas C Terwilliger. 2003-11-28. Recent developments in the PHENIX software for automated crystallographic structure determination.. https://doi.org/10.1107/s0909049503024130

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