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.
Department of Computer Sciences, Purdue University, West Lafayette, Indiana 47907, USA.
M A
MA
Cornea-Hasegan
Z
Z
Zhang
R E
RE
Lynch
D C
DC
Marinescu
A
A
Hadfield
J K
JK
Muckelbauer
S
S
Munshi
L
L
Tong
M G
MG
Rossmann