VMD-L Mailing List

From: Joshua D. Moore (joshuadmoore_at_gmail.com)
Date: Mon Sep 26 2011 - 09:12:09 CDT

Could use catdcd: http://www.ks.uiuc.edu/Development/MDTools/catdcd/

 catdcd -otype pdb -o something.pdb -stype pdb reference.pdb -namdbin
whatyouwanttoconvert.coor

On Mon, Sep 26, 2011 at 9:08 AM, Zumot, Elia Nabil <enz1_at_pitt.edu> wrote:
> Hi,
>
> Last line should be
> $sel writepdb eq.pdb
>
> You need to determine what atom selection to put into the pdb file.
>
>
>
> Elia Zomot, PhD
> Computational and Systems Biology Department
> School of Medicine, University of Pittsburgh
> 3083 BST3, 3501 Fifth Ave, Pittsburgh, PA 15213
> Voice: 412 648 7785 - Fax: 412 648 3163
> enz1_at_pitt.edu
> ________________________________________
> From: owner-vmd-l_at_ks.uiuc.edu [owner-vmd-l_at_ks.uiuc.edu] On Behalf Of matziast_at_med.uth.gr [matziast_at_med.uth.gr]
> Sent: Monday, September 26, 2011 7:08 AM
> To: vmd-l_at_ks.uiuc.edu
> Subject: vmd-l: convert .coor to pdb
>
> Hi,
> I would like to convert many .coor from equilibration to pdb and I use the
> following script but it does't run.
> mol load psf mypsf.psf
> mol addfile eq_LNZ.coor
> set sel [atomselect top all]
> writepdb eq.pdb
>
> Can anyone help me?
> Thank you in advance.
>