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PMID: 14646133 Published · ppublish English Journal Article Research Support, U.S. Gov't, Non-P.H.S. Research Support, U.S. Gov't, P.H.S.

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

Journal of synchrotron radiation ·Vol. 11 ·No. Pt 1 ·2004-01-01 ·Pages 53-5

Adams PD, Gopal K, Grosse-Kunstleve RW, Hung LW, Ioerger TR, McCoy AJ, Moriarty NW, Pai RK, Read RJ, Romo TD, Sacchettini JC, Sauter NK, Storoni LC, Terwilliger TC

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.

MeSH Terms
Algorithms Binding Sites Computer Simulation Crystallography/methods Database Management Systems Databases, Protein Information Storage and Retrieval/methods Macromolecular Substances Models, Molecular Protein Binding Protein Conformation Proteins/chemistry Sequence Analysis, Protein Software User-Computer Interface
Chemicals
Macromolecular Substances Proteins
Authors & Affiliations
14 authors, click to expand affiliations / ORCID
Adams Paul D
Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA. PDAdams@lbl.gov
Gopal Kreshna
Grosse-Kunstleve Ralf W
Hung Li-Wei
Ioerger Thomas R
McCoy Airlie J
Moriarty Nigel W
Pai Reetal K
Read Randy J
Romo Tod D
Sacchettini James C
Sauter Nicholas K
Storoni Laurent C
Terwilliger Thomas C
Article Info
Journal
Journal of synchrotron radiation
Abbr.
J Synchrotron Radiat
ISSN
0909-0495
Published
2004-01-01
Epub
2003-00-28
Pages
53-5
Language
English
Region
United States
NLM ID
9888878
Subset
IM
Grants
NIGMS NIH HHS · P01 GM063210 · United States
NIGMS NIH HHS · 1P01GM063210 · United States
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