When I load a CIF with a single substitutional disorder atom there are two
JmolMolecule instances in the Viewer:
JmolMolecule[] mols = viewer.getModelSet().getMolecules(); // mols.length == 2
I've printed out their structural info and they're identical, including
atom labels.
Bob - you mentioned in another thread the load xxx.cif filter "%A" command.
I've searched on the interactive script doc page though info is hard to
penetrate. I understand this will specify the "altLoc" atom group?
The thing is, I need to identify and remove those JmolMolecule instances
which are equivalent.to one-another and leave just one. I want simply the
atom set that's described in the CIF, not two entire disorder equivalent
molecules that are generated.
What's the best approach for this? Will the filter command do what's
intended?
Dave
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