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
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Received on Tue Feb 02 2016 - 04:30:04 PST
