Hello,
Thanks for the help.
Arundhati
On Mon, Aug 26, 2013 at 2:42 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> You can get a slightly more detailed analysis of pucker values in
> cpptraj by using the 'statistics' analysis. For example:
>
> pucker p1-as :274.C1' :274.C2' :274.C3' :274.C4' :274.O4'
> statistics p1-as out p1-as.stat.dat
>
> In 'p1-as.stat.dat' you will get the % occupied for various pucker
> types, as well as torsion average and std. deviation. See the manual
> for some more details.
>
> Hope this helps,
>
> -Dan
>
> On Mon, Aug 26, 2013 at 10:31 AM, arundhati dutta
> <arundhatidut.gmail.com> wrote:
> > Hello,
> >
> > Is there any way to know the type of sugar puckering. I have used the
> > pucker command but it gave me some bunch of numerical data.
> >
> > Thank You
> > Arundhati
> >
> > --
> > *A.Dutta (PPG INSTITUTE OF TECH ,MCA)
> > *
> > _______________________________________________
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>
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-9119 (Fax)
>
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>
--
*A.Dutta (PPG INSTITUTE OF TECH ,MCA)
*
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Received on Mon Aug 26 2013 - 13:00:03 PDT
