VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Dec 15 2005 - 09:51:52 CST

Andrea,
  This is a good question for Charles Schwieters, he's the one that wrote
the VMD-XPLOR combined package and I'm certain he'll know what the
best way to write a script for this would be. Visit the VMD-XPLOR page
and you'll find contact information for Charles in there:
  http://vmd-xplor.cit.nih.gov/

I was excited to see that he's now using VMD 1.8.3 as the basis for the new
VMD-XPLOR 1.4. This is really great and will help us stay in sync hopefully.

  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Dec 15, 2005 at 12:16:58PM +0100, andrea spitaleri wrote:
> [Apologies if it is not a right place to post it]
> Hi there,
> I have been trying to use vmd-xplor in order to analyse my noe
> constraints from a docking calculation.
> Since I have 100 and more structure to be analysed, I wrote a script in
> tcl to be sourced in vmd-xplor console. This script load all structures,
> but I cannot find out how to call the noe-call function. I can do this
> manually, loading the file.tbl and changing one by one the file.pdb to
> be analysed. I would like to know how you can call the noe-call function
> in a script.
>
> Thanks,
>
> Regards
>
> Andrea
> --
> -------------------------------
> Andrea Spitaleri
> Dulbecco Telethon Institute
> c/o DIBIT Scientific Institute
> Biomolecular NMR, 1B4
> Via Olgettina 58
> 20132 Milano (Italy)
> Get Firefox! <http://www.spreadfirefox.com/?q=affiliates&id=0&t=85>
> ------------------------------- 

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