VMD-L Mailing List

From: David Tanner (dtanner_at_ks.uiuc.edu)
Date: Tue Apr 28 2009 - 08:07:24 CDT

you can also select the last frame by

set lastFrame [atomselect top all frame last]

instead of specifying a frame number.

Thank you,
David E. Tanner

~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
David E. Tanner
Theoretical and Computational Biophysics Group
3159 Beckman Institute
University of Illinois at Urbana-Champaign
405 N. Mathews
Urbana, IL 61801
(217) 244 - 2905
dtanner_at_ks.uiuc.edu
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

On Tue, Apr 28, 2009 at 1:55 AM, Eduardo Cruz-Chu <chucruz_at_ks.uiuc.edu> wrote:
> 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
>>
>