Phase refinement and extension by means of non-crystallographic symmetry averaging using parallel computers.
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.
Cornea-Hasegan
M A
MA
Department of Computer Sciences, Purdue University, West Lafayette, Indiana 47907, USA.
Zhang
Z
Z
Lynch
R E
RE
Marinescu
D C
DC
Hadfield
A
A
Muckelbauer
J K
JK
Munshi
S
S
Tong
L
L
Rossmann
M G
MG