Hi Martin
Easy solution would be to draw a sphere, but since you want to be
able to select by mouse, I think you will have to add dummy atoms. I
guess that may be done using the "data" command (investigate that, I
cannot give you precise guidance).
Once you have the dummy atom, position it using the geometric center
of the compound. You can also assign element, set the cpk size etc.
Then hide the compound and display the dummy.
For instance:
{atomno=101}.xyz = {all atoms in compound}.xyz;
{atomno=101}.elemno = 6;
/* that's for carbon, but easier to select it later if you use
something else
*/
{atomno=101}.vanderwaals = 3.0; // van der Waals radius
{atomno=101}.spacefill = 3.0; // currently displayed radius
Good luck!
------------------------------------------------------------------------------
Introducing AppDynamics Lite, a free troubleshooting tool for Java/.NET
Get 100% visibility into your production application - at no cost.
Code-level diagnostics for performance bottlenecks with <2% overhead
Download for free and get started troubleshooting in minutes.
http://p.sf.net/sfu/appdyn_d2d_ap1
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
