Re: [Jmol-users] color code by coordination number

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

Easily!

If you don't care to choose the color yourself, you can use

color {*} property bondCount

Or you could specifically color a given coordination number with one of the
ways to designate a color:

{bondCount=6}.color = "red"
{bondCount=4}.color = "[xFF00FF]"
{bondCount=5}.color = {200 100 200}
{bondCount=3}.color = {0.8 0.2 0.1}

Or, alternatively, you could set up your own color scheme:

color {*} property bondcount  "myscheme=red blue orange green"



Bob Hanson

On Mon, Oct 8, 2012 at 7:42 AM, Sridhar Neelamraju <
nee...@gm...> wrote:

> Dear all,
> I have been struggling with this for a while now. The information I have
> is the coordinates and coordination number of each atom in a 10000 atom
> system (e.g. x y z cn). I want to color code the atoms by coordination
> number. For e.g. say all atoms with a CN of 4 as red, 6 as blue, 12 as
> green, etc.
>
> Could this be achieved using jmol? I am happy to put my data in any format
> that jmol reads (xyz, pdb, etc.).
>
> Thank you, and warm regards,
> Sridhar
>
>
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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