Jmol – a paradigm shift in crystallographic visualization
[Figure 8]
[Figure 8]

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Figure 8
Caffeine model loaded as though it were packed in a crystal having orthorhombic space group P212121. The twofold screw axis parallel to the a axis is shown (load caffeine.xyz {1 1 1} spacegroup "P 21 21 21" unitcell {10.0 12.0 8.0 90 90 90}; draw symop {atomno=7} {atomno=55}).










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

Figure 8
Caffeine model loaded as though it were packed in a crystal having orthorhombic space group P212121. The twofold screw axis parallel to the a axis is shown (load caffeine.xyz {1 1 1} spacegroup "P 21 21 21" unitcell {10.0 12.0 8.0 90 90 90}; draw symop {atomno=7} {atomno=55}).

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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