VMD-L Mailing List

From: Justin Gullingsrud (justin_at_ks.uiuc.edu)
Date: Mon Feb 24 2003 - 20:31:07 CST

Ioana,

At present, the only way to do this is to load the pdb file twice, then
translate or move one of the molecules along the periodic cell vector.
We have code now in the current development version of VMD to do exactly
what you describe, but it has not been released. We'll announce as usual
on vmd-l when beta versions of the new version of VMD are available for
testing.

To move a molecule, create an atom selection and use the moveby command:
set sel [atomselect top all]
$sel moveby {30 0 0}

Cheers,
Justin

On Mon, Feb 24, 2003 at 05:19:32PM -0800, Ioana Cozmuta wrote:
> Hi,
>
> I tried to find a similar subject on the vmd web page but was unsuccesful.
> I would like to load a PDB file that is a periodic boundary condition
> structure and vizualize more than one unit cell in various directions. Is
> there already a tcl routine developed in vmd to do this, any suggestions?
>
> Thank you in advance,
> Ioana 

-- 
  Justin Gullingsrud        3111 Beckman Institute        217-244-8946
  I been dropping the new science, and I be kicking the new knowledge,
  and I'm seeing to a degree that you can't get in college.  -- b.boys