It's certainly possible in JavaScript; less so in Java. In
jsmol/j2s/JM/ff/UFF.txt
change
atom [c] C_R aromatic C
to
atom [#6] C_R aromatic C
This will cause ALL carbons to be aromatic, so don't leave it like this!
Bob
On Mon, May 5, 2014 at 1:31 PM, Jenheta da silva <[email protected]> wrote:
> Dear Jmol users,
>
> I loaded a single xyz structure of C60 into Jmol (older and latest
> versions),
> in order to extract UFF intramolecular bonding parameters.
> Thanks to an older post from Bob, this was an easy step :
>
> set loglevel 6
> minimize steps 0
> x = script("show minimization")
> print x
> set debug off
>
> which, from the related output, Jmol identified all carbon atoms as being
> of type C_3. Is there some way to set the atom type from C_3 to C_R ?
>
> Thanks for any suggestions.
>
> Sincerely,
> Jen
>
>
>
>
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
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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