Bob,
It looks like your fix of the LATT instruction in SHELXL .res
files works - at least for the half-dozen cells I've played with.
I'm trying to figure out how to select individual molecules :
how are the molecule nos. related to the symmetry operations? I need
to be able to designate the molecule that's located by a particular
sym op. For example, in space group P21/c, how would I know which
molecule is produced by sym op X, 1/2+y, 1/2-Z ?
Pat Carroll
Chem Dept
U of Penn
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