VMD-L Mailing List

From: Schreiner Eduard (eschrein_at_ks.uiuc.edu)
Date: Sun Mar 01 2009 - 01:14:53 CST

Hi Bo,

On Feb 28, 2009, at 3:44 AM, bo baker wrote:

> Dear VMD:
>
> I would like to delete the ligands from the trajectories. Is there a
> way to do so?
>

not directly in vmd.

> I know that one can delete residues from one protein structure, such
> as:
>
> set sel [atomselect top "not (resname FAD FMN NAP)"]
> $sel writepdb test1.pdb
>
> Just wonder how it works with a set of structures, such as trajectory
> once they are all loaded?
>

in exactly the same way you just described, but with the "writedcd"
command. Check the manual p.94.

> Thank you for your advice
>
> Bo

eddi

=====================================================
Eduard Schreiner
Theoretical and Computational Biophysics Group
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801
Phone: 217-244-4361
Fax: 217-244-6078
http://www.ks.uiuc.edu/~eschrein/
=============================================