VMD-L Mailing List

From: Yves Frapart (frapart_at_biomedicale.univ-paris5.fr)
Date: Mon Sep 16 2002 - 11:08:13 CDT

Hi,

How can I force the drawing of a bond beetween two known atoms (an Fe
and a N in a protein structure) ?
I have a PDB input file and I would like to draw the active site with
VMD 1.8a21, first I tried to ad a conect to the pdb file, then I notice
VMD does'nt take care of the conect wrote in the pdb file, then I tried
to write a source using setbonds (it seems i am not good enough to do
so, and i received different message.
Here is the source I wrote :

set sel1 [atomselect 0 "name Fe"]
set sel2 [atomselect 1 "resid 2814"]
setbonds 0 1

The effect was : Cannot find molecule 1 in atomselect's 'molId

Thank you very much.

Yves Frapart