[gmx-users] about dumping the last frame

[Tsjerk Wassenaar]

Hi Shirin,

The sed-solution is:

sed -ne '/^MODEL/,/^ENDMDL/{/^MODEL/{x;d};H}' -e '${x;p}' traj.pdb

Which might come in handy as an alias (csh-style:)

alias lastmodel "sed -ne "/^MODEL/,/^ENDMDL/{/^MODEL/{x;d};H}" -e "${x;p}" \!*'

Hope it helps,

Tsjerk


On Mon, Feb 2, 2009 at 8:03 AM, nahren manuel <meetnahren at yahoo.com> wrote:
> Dear Awasthi,
> go through GROMACS Introductory tutorial...
>
> trjconv -f abc.pdb -s abc.tpr -o 3frame.pdb -dump 3
>
> You can also open the pdb file in VMD and save only the last frame
>
> SIMPLE !
>
> nahren
>
> --- On Mon, 2/2/09, Shirin Awasthi <shirin.mtechjnu at gmail.com> wrote:
>
> From: Shirin Awasthi <shirin.mtechjnu at gmail.com>
> Subject: [gmx-users] about dumping the last frame
> To: gmx-users at gromacs.org
> Date: Monday, February 2, 2009, 12:00 PM
>
> Hi.
>
> I have a protein model in pdb format after trjconv command.
> it has 3 frames, that is 3 consecutive models of the same protein.
> how do i dump only the last frame as my final model?
>
> --
> Shirin Awasthi
> M.Tech (CSB)
> Center for Computational Biology and Bioinformatics,
> School of Information Technology,
> Jawaharlal Nehru University,
> New Delhi,
> 110067
> INDIA.
>
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623