VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Feb 24 2003 - 22:04:47 CST
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Hi,
I'd like to take this opportunity to say that if some individuals would
like to test an alpha version of VMD which contains the new periodic image
display feature, I would be willing to make a test version available so
that we can get feedback on it from people working with periodic systems.
For convenience sake, I'd be primarily interested in providing Unix versions
such a test release, but if you use Windows or MacOS X and are willing to
give us good feedback, I'll consider building test versions for those
platforms as well.
John Stone
vmd_at_ks.uiuc.edu
On Mon, Feb 24, 2003 at 08:31:07PM -0600, Justin Gullingsrud wrote:
> 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
-- NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 Email: johns_at_ks.uiuc.edu Phone: 217-244-3349 WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078
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