I think you should be able to do this with a SMILES five-membered ring
selection:
select substructure("[C]1[C][C][C][C]1")
Xavier Prat-Resina wrote:
> Dear Jmol users,
>
> I'm still unexperienced with jmol scripting...
> I'm trying to display the pentagons in a C80 fullerene.
> The only criteria for atoms being in a pentagon is the angle
> between the atoms of the pentagon (~108 degrees vs
> ~120 for the hexagons)
>
> So, I'm trying to display all those atoms which form
> an angle around 108 degrees with their connected neighbors.
> I've been wondering if there exists a function that works
> like when selecting bonds.
> e.g.
> select connected(107.0,109.0,{carbon},{carbon},{carbon}); color bonds
> green
>
> I tried a script for all the connected atoms without much success :(
>
> Thanks for your help
>
> Xavier
>
> --
> Xavier Prat-Resina
> Research Associate
> Journal of Chemical Education and University of Wisconsin
> 209 N. Brooks St. Madison, WI 53715-1116
>
> Tel: 608 2627917 // Fax: 608 2627145
> e-mail: xavier.prat.resina + gmail.com <http://gmail.com>; skype:
> xavierprat
> http://x.prat.resina.googlepages.com
>
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--
Robert M. Hanson
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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