Is there a command which will generate multiple bond types (even just
double would be a start) from a structure that lacks such info
e.g. .xyz ?
I've looked at Connect Calculate and Set autobond ON but none seem to
do the job.
connect aromatic auto does the job for aromatic compounds but I've
found nothing else.
What I'm looking for is automatic recognition of carbonyl groups,
alkenes etc. Up to now we have been putting them in by hand and I
notice that MacMolPlt can do it (not always perfectly).
All the best
Nick
--
3D Organic Animations http://www.chemtube3d.com
Tel: +44 (0)151-794-3506 (3500 secretary)
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