PHASE REFINEMENT AND EXTENSION BY MEANS OF NON-CRYSTALLOGRAPHIC SYMMETRY AVERAGING USING PARALLEL COMPUTERS

被引:11
作者
CORNEAHASEGAN, MA
ZHANG, ZY
LYNCH, RE
MARINESCU, DC
HADFIELD, A
MUCKELBAUER, JK
MUNSHI, S
TONG, L
ROSSMANN, MG
机构
[1] PURDUE UNIV,DEPT COMP SCI,W LAFAYETTE,IN 47907
[2] PURDUE UNIV,DEPT BIOL SCI,W LAFAYETTE,IN 47907
[3] PURDUE UNIV,DEPT MATH,W LAFAYETTE,IN 47907
来源
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY | 1995年 / 51卷
关键词
D O I
10.1107/S0907444995001399
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
Electron-density averaging, fast Fourier synthesis and fast Fourier analysis programs have been adapted for parallel-computing systems. These have been linked to perform iterative phase improvement and extension utilizing non-crystallographic symmetry and solvent flattening. Various strategies for parallel algorithms have been tested on a variety of computers as a function of the number of computer nodes. Some experimental timing results are discussed.
引用
收藏
页码:749 / 759
页数:11
相关论文
共 27 条
  • [1] STRUCTURE OF SOUTHERN BEAN MOSAIC-VIRUS AT 2.8-A RESOLUTION
    ABADZAPATERO, C
    ABDELMEGUID, SS
    JOHNSON, JE
    LESLIE, AGW
    RAYMENT, I
    ROSSMANN, MG
    SUCK, D
    TSUKIHARA, T
    [J]. NATURE, 1980, 286 (5768) : 33 - 39
  • [2] THE STRUCTURE DETERMINATION OF A COMMON COLD VIRUS, HUMAN RHINOVIRUS-14
    ARNOLD, E
    VRIEND, G
    LUO, M
    GRIFFITH, JP
    KAMER, G
    ERICKSON, JW
    JOHNSON, JE
    ROSSMANN, MG
    [J]. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 1987, 43 : 346 - 361
  • [3] METHODS AND PROGRAMS FOR DIRECT-SPACE EXPLOITATION OF GEOMETRIC REDUNDANCIES
    BRICOGNE, G
    [J]. ACTA CRYSTALLOGRAPHICA SECTION A, 1976, 32 (SEP1): : 832 - 847
  • [4] STRUCTURE DETERMINATION OF CRYSTALLINE LOBSTER D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE
    BUEHNER, M
    FORD, GC
    MORAS, D
    OLSEN, KW
    ROSSMANN, MG
    [J]. JOURNAL OF MOLECULAR BIOLOGY, 1974, 82 (04) : 563 - 585
  • [5] CORNEAHASEGAN MA, 1994, CSD TR94008 PURD U D
  • [6] DATA MANAGEMENT FOR A CLASS OF ITERATIVE COMPUTATIONS ON DISTRIBUTED-MEMORY MIMD SYSTEMS
    CORNEAHASEGAN, MC
    MARINESCU, DC
    ZHANG, ZY
    [J]. CONCURRENCY-PRACTICE AND EXPERIENCE, 1994, 6 (03): : 205 - 229
  • [7] DODSON E, 1992, MOL REPLACEMENT
  • [8] Fox G. C., 1987, SOLVING PROBLEMS CON
  • [9] 3.2 A STRUCTURE OF THE COPPER-CONTAINING, OXYGEN-CARRYING PROTEIN PANULIRUS-INTERRUPTUS HEMOCYANIN
    GAYKEMA, WPJ
    HOL, WGJ
    VEREIJKEN, JM
    SOETER, NM
    BAK, HJ
    BEINTEMA, JJ
    [J]. NATURE, 1984, 309 (5963) : 23 - 29
  • [10] HOGLE JM, 1987, CRYSTALLOGRAPHY MOL, P281