VMD-L Mailing List

From: Andrea Carotti (and.carotti_at_farmchim.uniba.it)
Date: Wed Jun 22 2005 - 03:28:54 CDT

Thanks for all the kind replies...
Sincerely
Andrea
----- Original Message -----
From: "Axel Kohlmeyer" <axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de>
To: "Andrea Carotti" <and.carotti_at_farmchim.uniba.it>
Cc: <vmd-l_at_ks.uiuc.edu>
Sent: Monday, June 20, 2005 7:58 PM
Subject: Re: vmd-l: Script for automated selection

> On Mon, 20 Jun 2005, Andrea Carotti wrote:
>
>
> dear andrea,
>
> seems like i found (another?) 'customer' for my clone_reps script.
>
> please have a look at:
> http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-vmd/part7.html#chap9_sect8
>
> to use it, load the molecules, switch to molecule 0
> and create the visualization that you want for that
> molecule only. then load the script, e.g. with
> 'source clone_reps.tcl' and do
>
> set nmols [molinfo num]
> for {set i 1} {$i < $nmols} {incr i} { clone_reps 0 $i }
>
> the easiest way to handle this repeatedly is probably to
> append those two lines to the clone_reps.tcl file so they
> are loaded automatically.
>
> ciao,
> axel.
>
>
> AC> Dear all,
> AC> I'm not familiar in doing scripts in vmd and i apologize for that.
> AC> I need a simple script for the selection and the representation of
> only a
> AC> residue of my pdb files.
> AC> I'll start vmd with the command vmd -m *.pdb (30 pdbs of complexes in
> a
> AC> directory)
> AC> so i'll have vmd with 30 molids in it.
> AC> I need only to visualize the residue with the name DRG (ligand)
> present in
> AC> each complex.
> AC> I need a kind of foreach in vmd. Could someone help me?
> AC> Thanks a lot
> AC> Andrea
> AC>
> AC>
>
> --
>
> =======================================================================
> Dr. Axel Kohlmeyer e-mail: axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de
> Lehrstuhl fuer Theoretische Chemie Phone: ++49 (0)234/32-26673
> Ruhr-Universitaet Bochum - NC 03/53 Fax: ++49 (0)234/32-14045
> D-44780 Bochum http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
> =======================================================================
> If you make something idiot-proof, the universe creates a better idiot.