Jmol – a paradigm shift in crystallographic visualization
[Figure 14]
[Figure 14]

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Figure 14
Using set picking symmetry, the user can click on any two atoms for a depiction of the symmetry operation that relates them. In this case, a [\overline 6] axis is involved [Wilkens & Mueller-Buschbaum, 1993BB33; ICSD (http://icsd.Fiz-karlsruhe.de/icsd/ ) entry 73182]. The center on the left is inverted through a point, then rotated by 60° (load icsd_73182.cif {2 1 1} packed; unitcell off; axes off; x = {atomno=5 or atomno=67}; display x or connected(x); draw symop {x}[1] {x}[2]).










The script commands and data file used by Jmol are available from Crystallography Journals Online as supplementary material for this article.

Figure 14
Using set picking symmetry, the user can click on any two atoms for a depiction of the symmetry operation that relates them. In this case, a [\overline 6] axis is involved [Wilkens & Mueller-Buschbaum, 1993BB33; ICSD (http://icsd.Fiz-karlsruhe.de/icsd/ ) entry 73182]. The center on the left is inverted through a point, then rotated by 60° (load icsd_73182.cif {2 1 1} packed; unitcell off; axes off; x = {atomno=5 or atomno=67}; display x or connected(x); draw symop {x}[1] {x}[2]).

Journal logo JOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 43| Part 5| September 2010| Pages 1250-1260
doi:10.1107/S0021889810030256
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