Got it! Turned out to be a very simple addition to the code.
connect 80% 120% .....
The percent means "combined nominal bonding radius"
If the atoms are charged, this is the ionic radius, possibly defined by the
user. If the atoms are uncharged, this is the covalent/ionic radius that
depends upon charge and is predefined by Jmol.
So you can set this for the minimum or the maximum. Jmol 11.9.32 will also
read "-0.80" as "80%" in this context, but I think "80%" is a clearer
syntax and will be the suggested method.
see http://chemapps.stolaf.edu/jmol/docs/examples-11/Jmol-11.zip
Bob
On Sun, Feb 28, 2010 at 5:39 PM, Alan Hewat <he...@ill.fr> wrote:
> Whether bonds connecting atoms are drawn or not should depend on the sum
> of the atom or ionic radii, and should not have to be specified as a
> distance for each atom pair. For example, instead of connecting atom sets
> within a range of distances in Angstroms eg:
>
> connect (~cations) (~anions) 0.8 2.5;
>
> it would be good to be able to connect them within a range of fractions of
> their combined ionic or atomic radii eg:
>
> connect (~cations) (~anions) 0.8 1.2 ionic;
> or
> connect (~cations) (~anions) 0.8 1.2 atomic;
>
> Alan
> ______________________________________________
> Dr Alan Hewat, NeutronOptics, Grenoble, FRANCE
> <alan.he...@neutronoptics.com> +33.476.98.41.68
> http://www.NeutronOptics.com/hewat
> ______________________________________________
>
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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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