In:
Journal of Applied Crystallography, International Union of Crystallography (IUCr), Vol. 42, No. 6 ( 2009-12-01), p. 1189-1193
Abstract:
PeckCryst has been developed for the solution of molecular crystal structures from powder diffraction data using a particle swarm optimization (PSO) algorithm. In order to speed up the calculation process, a modified Bragg R factor is used as the evaluation function for the PSO algorithm. The effectiveness of the program has been tested by solving four known structures from powder diffraction data. A Python script is also provided for convenient repetitive running of PeckCryst . The distributed PeckCryst program is freely available from the authors upon request, and runs on Linux and Windows (32- and 64-bit) platforms.
Type of Medium:
Online Resource
ISSN:
0021-8898
DOI:
10.1107/S0021889809034207
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2009
detail.hit.zdb_id:
2020879-0
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