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Updated: Jul 27, 2026

Microcrystallography of Protein Crystals and In Cellulo Diffraction
Published on: July 21, 2017
Phase refinement and extension by means of non-crystallographic symmetry averaging using parallel computers
M A Cornea-Hasegan1, Z Zhang, R E Lynch
1Department of Computer Sciences, Purdue University, West Lafayette, Indiana 47907, USA.
Abstract:
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.
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