PHENIX:: building new software for automated crystallographic structure determination

被引:3854
作者
Adams, PD
Grosse-Kunstleve, RW
Hung, LW
Ioerger, TR
McCoy, AJ
Moriarty, NW
Read, RJ
Sacchettini, JC
Sauter, NK
Terwilliger, TC
机构
[1] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA
[2] Los Alamos Natl Lab, Biophys Grp, Los Alamos, NM 87545 USA
[3] Texas A&M Univ, Dept Comp Sci, College Stn, TX 77843 USA
[4] Univ Cambridge, Dept Haematol, Cambridge Inst Med Res, Cambridge CB2 2XY, England
[5] Texas A&M Univ, Dept Biochem & Biophys, College Stn, TX 77843 USA
来源
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 2002年 / 58卷
关键词
D O I
10.1107/S0907444902016657
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
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.
引用
收藏
页码:1948 / 1954
页数:7
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