Author:
Hundt R.,Scho¨n J. Christian,Hannemann A.,Jansen M.
Abstract
A robust algorithm is presented that determines the symmetries present in an atomic configuration and idealizes the cell parameters according to the crystal system suggested by the symmetries detected. No information besides the coordinates of the atoms within some arbitrary unit cell of the crystal is required.
Publisher
International Union of Crystallography (IUCr)
Subject
General Biochemistry, Genetics and Molecular Biology
Cited by
178 articles.
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