%0 Journal Article %1 Feng2009 %A Feng, Z. J. %A Dong, C. %A Jia, R. R. %A Deng, X. D. %A Cao, S. X. %A Zhang, J. C. %D 2009 %I International Union of Crystallography %J J. Appl. Cryst. %K *file-import-13-09-19 computer-program %N 6 %P 0 %R 10.1107/s0021889809034207 %T PeckCryst: a program for structure determination from powder diffraction data using a particle swarm optimization algorithm %U http://dx.doi.org/10.1107/s0021889809034207 %V 42 %X 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.

@article{Feng2009, 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.}}, added-at = {2019-03-11T21:00:05.000+0100}, author = {Feng, Z. J. and Dong, C. and Jia, R. R. and Deng, X. D. and Cao, S. X. and Zhang, J. C.}, biburl = {https://www.bibsonomy.org/bibtex/21bdad5128074b4e533b6864fe297952a/fairybasslet}, citeulike-article-id = {5896966}, citeulike-linkout-0 = {http://dx.doi.org/10.1107/s0021889809034207}, doi = {10.1107/s0021889809034207}, interhash = {1bf5af5a4fce9cd0a438c730f30295bb}, intrahash = {1bdad5128074b4e533b6864fe297952a}, issn = {urn:issn:0021-8898}, journal = {J. Appl. Cryst.}, keywords = {*file-import-13-09-19 computer-program}, month = dec, number = 6, pages = 0, posted-at = {2012-05-04 00:32:20}, priority = {2}, publisher = {International Union of Crystallography}, timestamp = {2019-03-11T21:06:37.000+0100}, title = {{PeckCryst: a program for structure determination from powder diffraction data using a particle swarm optimization algorithm}}, url = {http://dx.doi.org/10.1107/s0021889809034207}, volume = 42, year = 2009 }