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PMID: 12393927 Published · ppublish English Journal Article Research Support, U.S. Gov't, Non-P.H.S. Research Support, U.S. Gov't, P.H.S.

PHENIX: building new software for automated crystallographic structure determination.

Acta crystallographica. Section D, Biological crystallography ·Vol. 58 ·No. Pt 11 ·2002-11-00 ·Pages 1948-54

Adams PD, Grosse-Kunstleve RW, Hung LW, Ioerger TR, McCoy AJ, Moriarty NW, Read RJ, Sacchettini JC, Sauter NK, Terwilliger TC

Abstract

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.

MeSH Terms
Algorithms Automation/methods Crystallography, X-Ray/methods Genomics Models, Molecular Molecular Structure Proteins/chemistry,genetics Software
Chemicals
Proteins
Authors & Affiliations
10 authors, click to expand affiliations / ORCID
Adams Paul D
Lawrence Berkeley National Laboratory, One Cyclotron Road, Mailstop 4-230, Berkeley, CA 94720, USA. pdadams@lbl.gov
Grosse-Kunstleve Ralf W
Hung Li Wei
Ioerger Thomas R
McCoy Airlie J
Moriarty Nigel W
Read Randy J
Sacchettini James C
Sauter Nicholas K
Terwilliger Thomas C
Article Info
Journal
Acta crystallographica. Section D, Biological crystallography
Abbr.
Acta Crystallogr D Biol Crystallogr
ISSN
0907-4449
Published
2002-11-00
Epub
2002-00-21
Pages
1948-54
Language
English
Region
United States
NLM ID
9305878
Subset
IM
Grants
NIGMS NIH HHS · P01 GM063210 · United States
NIGMS NIH HHS · 1P01GM063210 · United States
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