[xcrysden] Re: queston on Xcrysden

Tone Kokalj xcrysden@democritos.it
Tue, 21 Mar 2006 15:32:27 +0100


> Hi Dr. Kokalj, this is Newton Ooi here.  I am using your Xcrysden software and
> am trying to generate a figure like that shown in the screenshot on the site:
> 
> http://www.xcrysden.org/img/xcrysden_molsurf2.png

This particular picture has been made with "molecular surfaces" feature 
(i.e. "Display-->Molecular Surface", and "Modify-->Molecular Surface
Setting")

> 
> Specifically, I am trying to plot a structure where some of the atoms are
> represented by solid spheres, and other atoms are represented by
> wiremeshes. 

This is in general not possible in xcrysden, but with a simple trick.
You can display the stucture in ball-and-sticks mode. The bond radius is
set via the "Modify-->Ball/Stick Ratio". Then you can set the display
radii for some atomic types to very large values ("Modify-->Atomic
Radius"), while the other types to small values: you will end up with
some atomic-types displayed as space-fills, while the other as "tubed"
wireframe.

Regards, Tone