SOLVE and RESOLVE: automated structure solution, density modification, and model building

被引:357
作者
Terwilliger, T [1 ]
机构
[1] Los Alamos Natl Lab, Los Alamos, NM 87545 USA
关键词
MIR/MAD; SAD; SAS; software;
D O I
10.1107/S0909049503023938
中图分类号
TH7 [仪器、仪表];
学科分类号
0804 ; 080401 ; 081102 ;
摘要
The software SOLVE and RESOLVE can carry out all the steps in macromolecular structure solution, from scaling and heavy-atom location through phasing, density modification, and model-building in the MAD, SAD, and MIR cases. SOLVE uses scoring scheme to convert the decision-making in macromolecular structure solution to an optimization problem. RESOLVE carries out the identification of NCS, density modification, and automated model-building. The procedure is fully automated and can function at resolutions as low as 3 Angstrom.
引用
收藏
页码:49 / 52
页数:4
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共 30 条
  • [1] Methods used in the structure determination of bovine mitochondrial F-1 ATPase
    Abrahams, JP
    Leslie, AGW
    [J]. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1996, 52 : 30 - 42
  • [2] Bayesian statistical viewpoint on structure determination: Basic concepts and examples
    Bricogne, G
    [J]. MACROMOLECULAR CRYSTALLOGRAPHY, PT A, 1997, 276 : 361 - 423
  • [3] METHODS AND PROGRAMS FOR DIRECT-SPACE EXPLOITATION OF GEOMETRIC REDUNDANCIES
    BRICOGNE, G
    [J]. ACTA CRYSTALLOGRAPHICA SECTION A, 1976, 32 (SEP1): : 832 - 847
  • [4] IMPROVEMENT OF MACROMOLECULAR ELECTRON-DENSITY MAPS BY THE SIMULTANEOUS APPLICATION OF REAL AND RECIPROCAL SPACE CONSTRAINTS
    COWTAN, KD
    MAIN, P
    [J]. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1993, 49 : 148 - 157
  • [5] Better structures from better data through better methods:: a review of developments in de novo macromolecular phasing techniques and associated instrumentation at LURE
    Fourme, R
    Shepard, W
    Schiltz, M
    Prangé, T
    Ramin, M
    Kahn, R
    de la Fortelle, E
    Bricogne, G
    [J]. JOURNAL OF SYNCHROTRON RADIATION, 1999, 6 : 834 - 844
  • [6] A highly automated heavy-atom search procedure for macromolecular structures
    Grosse-Kunstleve, RW
    Brunger, AT
    [J]. ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 1999, 55 : 1568 - 1577
  • [7] Synchrotron crystallography
    Hendrickson, WA
    [J]. TRENDS IN BIOCHEMICAL SCIENCES, 2000, 25 (12) : 637 - 643
  • [8] Automatic modeling of protein backbones in electron-density maps via prediction of Cα coordinates
    Ioerger, TR
    Sacchettini, JC
    [J]. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 2002, 58 : 2043 - 2054
  • [9] AUTOMATED REFINEMENT OF PROTEIN MODELS
    LAMZIN, VS
    WILSON, KS
    [J]. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY, 1993, 49 : 129 - 147
  • [10] A new software routine that automates the fitting of protein X-ray crystallographic electron-density maps
    Levitt, DG
    [J]. ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2001, 57 : 1013 - 1019