VMD-L Mailing List

From: Eduardo Cruz-Chu (chucruz_at_ks.uiuc.edu)
Date: Tue Apr 28 2009 - 01:55:25 CDT

You can load your trajectory and save the last frame as PDB using only
VMD.

For instance, let's say your DCD has 1000 frames. First load the
molecule:

mol load psf XYZ.psf dcd XYZ.dcd

Then select the last frame:
set lastFrame [ atomselect top all frame 999 ]

and save it as PDB:
$lastFrame writepdb XYZlastFrame.pdb

On Tue, 28 Apr 2009, DimitryASuplatov wrote:

> Hello,
>
> I have a dcd trajectory and I want to have the last frame of this run
> in pdb format.
>
> 1/ As I learned - the first possible way is to use catdcd program. My
> question here - could it be launched from vmd console without the need
> to download and separately install it?
>
> 2/ Is the any other (more preffered) way.
>
> Thanks.
> SDA
>