From: andrea spitaleri (
Date: Thu Dec 15 2005 - 10:13:30 CST

indeed I did it. I found on his web page the mailing list and post it
the same question. He was very kind to answer to my question and as you
say vmd-xplor very gorgeous tool to analyse structures.
By the way, I have been trying to use "contact map" tool in vmd to find
contact between ligand and the protein. However, when I select "segid
B" (the ligand) nothing appears in the window. Is this plugin works as
well with ligand?




John Stone wrote:

> 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:
>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
>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.
>>Andrea Spitaleri
>>Dulbecco Telethon Institute
>>c/o DIBIT Scientific Institute
>>Biomolecular NMR, 1B4
>>Via Olgettina 58
>>20132 Milano (Italy)
>>Get Firefox! <>

Andrea Spitaleri
Dulbecco Telethon Institute
c/o DIBIT Scientific Institute
Biomolecular NMR, 1B4
Via Olgettina 58
20132 Milano (Italy)
Get Firefox! <>