VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Aug 09 2006 - 13:36:16 CDT

Hi,
  Not by itself. One can write scripts to do this sort of thing, but
there isn't presently any built-in facility for this yet. The solvate and
membrane plugins start with a pre-built template box and replicate it to
build out the requested size. At the moment, none of these tools can build
these large structures starting with a single molecule. Presumably one could
do this with a simple , but you'd need post-equilibration and such to
get something reasonable. In the case of the solvate and membrane plugins,
the template boxes have already had those things done to them IIRC.

  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Aug 08, 2006 at 02:26:51PM +0200, andras.borosy_at_givaudan.com wrote:
> Dear Colleagues,
>
> Is VMD capable to create lipid bilayers from the scratch? Let's say from
> non-phospholipid molecules?
>
> Many thank,
>
> Dr. András Péter Borosy
> Senior Scientist
> Fragrance Research
> Givaudan Schweiz AG - Ueberlandstrasse 138 - CH-8600 - Dübendorf -
> Switzerland
> T:+41-1-824 2164 - F:+41-1-8242926 - http://www.givaudan.com 

-- 
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