I seem to be getting different behavior for some of the symmetry
commands when I read a CIF than when I read a SHELXL .res file. With
a CIF, load "" {555 555 1} produces a cell with the molecules
normalized so the centers of gravity are inside the cell (as it
should). But a .res file with load "" {555 555 1} does not provide
normalized co-ordinates. It behaves the same as load "" {555 555 0}.
Jmol version is 12.2.33.
Pat Carroll
Patrick J. Carroll, Ph.D.
Director, X-ray Crystallography Facility
Department of Chemistry
University of Pennsylvania
Philadelphia, PA
Phone: 215-898-3505
Web: http://macxray.chem.upenn.edu
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