Re: [AMBER] Chirality restraints

From: Rajeswari A. <rajeswari.biotech.gmail.com>
Date: Thu, 29 Sep 2011 18:12:52 +0530

Thank you very much for your kind clarification sir.

Thanks and Regards
Rajeswari A.

On Thu, Sep 29, 2011 at 6:05 PM, David A Case <case.biomaps.rutgers.edu>wrote:

> On Thu, Sep 29, 2011, Rajeswari A. wrote:
> >
> > I created Chirality restraints file using makeCHIR_RST code in Amber. In
> > amber manual there is a line "Note that you may have to edit the output
> of
> > this program to change trans peptide constraints to cis, as appropriate."
> > Is this note is for proline?
>
> Yes: if you know you have a cis-proline, you certainly don't want to have a
> trans restraint. If you don't know whether your proline is cis or trans,
> you
> probably don't want to have any restraint. In either case, you need to
> hand-edit the output of makeCHIR_RST to do what you want (e.g. delete some
> of
> the restraints.)
>
> ...dac
>
>
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Received on Thu Sep 29 2011 - 06:00:05 PDT
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