Quoting Dean Johnston <[EMAIL PROTECTED]>:

> I don't know if this is a bug or a feature, but my script to display a model
> of benzene ends up with all double bonds.  Here is a snippet of the script
> (the structure is defined via an inline data file):
>
> set autobond false;
> data "model benzene" | ... (atom coordinates here) ... |end "model benzene";
> show data;
> connect (atomno=1) (atomno=2) AROMATIC create;
> connect (atomno=2) (atomno=3) AROMATIC create;
> connect (atomno=3) (atomno=4) AROMATIC create;
> connect (atomno=4) (atomno=5) AROMATIC create;
> connect (atomno=5) (atomno=6) AROMATIC create;
> connect (atomno=6) (atomno=1) AROMATIC create;
>
> This produces all double bonds.  When I play around with the console, the
> only way I can get what I want (and expect) is to say:
>
> connect;
> connect (atomno=1) (atomno=2) AROMATIC modify;
>   ...etc. for all the remaining bonds
>
> I've attached a state file.
>

Have you tried 'calculate aromatic'?

Regards,
Rolf

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