Yah, My question is on how to decide which model to keep ?
I want to go for minimization next and then for the protein docking ....to
study the role of the protein..
Thanks in advance!
On Tue, Feb 2, 2016 at 5:50 PM, Jason Swails <jason.swails.gmail.com> wrote:
> On Tue, Feb 2, 2016 at 6:18 AM, ankita mehta <mehtaroadies.gmail.com>
> wrote:
>
> > Dear ALL,
> > I have a NMR solved PDB structure which has 20 models.
> > I want to proceed for minimization.
> > Please let me know how to pick one representative out of all these?
> >
>
> It's unclear what you're asking. Are you asking how do you create a file
> that has only a single model? Well the way I would do it is to copy the
> PDB file and then delete all of the models I didn't want inside a text
> editor. There are other ways (e.g., using cpptraj), but the way I
> described is conceptually quite simple and you can be sure that you are
> doing what you want.
>
> If you're asking how do you decide which model to keep, then my answer is
> "keep the best one". Of course that's a subjective criteria -- only you
> can decide which model is best for your application (or if the differences
> between the models really even matter).
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Feb 02 2016 - 04:30:07 PST
