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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Received on Mon Aug 26 2013 - 13:00:02 PDT
