Re: [Jmol-users] Non-default covalent radii

[Robert H. <ha...@st...>]

It's a bit counterintuitive.

{atomno=1}.ionic= 1.2

There is also ".covalent", and that would make more sense, but .ionic is
what is used to adjust an atom's bonding radius, regardless of its formal
charge.

Then you would issue:

connect {*} {*} auto

to run the autobonding calculation again using the updated bonding radius.

Bob

Bob



On Fri, Jan 18, 2013 at 10:54 AM, Pat Carroll <car...@sa...>wrote:

> Hello Jmoler's!
>
>         Got a simple (I think) question: What's the easiest way to set a
> covalent radius for an element so that non-default value is used in
> building a molecule?
>
> Pat Carroll
>
> Patrick J. Carroll, Ph.D.
> Director, X-ray Crystallography Facility
> Department of Chemistry
> University of Pennsylvania
> Philadelphia, PA
>
> Phone: 215-898-3505
> Web: http://macxray.chem.upenn.edu
>
>
>
>
>
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-- 
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Chemistry Department
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