From: John Stone (
Date: Fri Mar 10 2006 - 18:40:17 CST

  I don't have a script, but it would be pretty easy to draw the
octahedron once you can calculate the vertices and edges of
the unit cell. I don't know what basis vectors etc are being used
to specify the unit cell since you didn't say if this is something for
NAMD, Gromacs, etc., so I can't suggest anything specific,
but you may find this helpful:

PBCAID presumably contains a lot of routines for dealing with
these unusual PBC unit cell shapes, and presumably for various
different simulation packages. You might take a look at it:


On Wed, Mar 08, 2006 at 12:26:06PM +0100, Vlad Cojocaru wrote:
> Hi guys,
> Does anyone of you have a tcl script that draws a truncated octahedron
> in vmd (something similar to Axel's script to draw cubic cells)?
> Thanks
> vlad
> --
> Dr. Vlad Cojocaru
> EML Research gGmbH
> Molecular and Cellular Modeling Group
> Schloss-Wolfsbrunnenweg 33
> 69118 Heidelberg, Germany
> Phone: +49-6221-533266
> Fax: +49-6221-533298
> e-mail:

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