CIF disorder sets are very complex and, I think, somewhat ambiguous. You
might try a load filter for alternative A:
load xxx.cif filter "%A"
ah, but that does not work. OK there must be a bug there. I will look into
it.
On Sun, Apr 14, 2013 at 3:31 AM, N David Brown <hubd...@gmail.com> wrote:
> I've got a CIF with substitutional disorder.
>
> The alternative atom A' for the disorder site is loaded by Jmol into the
> same JmolMolecule instance as the rest of the structure. However, A' has no
> bonds to the rest of the molecule.
>
> I need to split out A' into its own JmolMolecule so it's guaranteed that
> each JmolMolecule in the viewer is a connected graph (there's an edge path
> from every vertex in the molecule to every other).
>
> Is there a neat way to achieve this? I'm hoping to avoid re-importing as
> e.g. a generated MOL string since this will use useful CIF information like
> the unit cell parameters.
>
> Cheers,
>
> Dave
>
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Chemistry Department
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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