Hi,
Unfortunately you can't do this with ptraj/cpptraj yet, but support
for this is planned for the next release of cpptraj.
-Dan
On Thu, Jan 24, 2013 at 9:27 AM, Sergey Samsonov
<sergeys.biotec.tu-dresden.de> wrote:
> Hi all,
>
> I wonder if it is possible to carry out PCA analysis in the space of
> backbone dihedral angles of a protein (instead of cartesian space) using
> ptraj or other Amber tools?
> I found this question on the mailing list dated to 2009 but at that time
> there was no answer.
>
> Thanks and cheers,
>
> Sergey
>
> --
> Sergey A. Samsonov
> Postdoctoral researcher
> Structural Bioinformatics
> Biotechnology Center
> Tatzberg 47-51
> 01307 Dresden, Germany
>
> Tel: (+49) 351 463 400 83
> Fax: (+49) 351 463 402 87
> E-mail: sergey.samsonov.biotec.tu-dresden.de
> Webpage: www.biotec.tu-dresden.de
>
>
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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 Thu Jan 24 2013 - 09:00:03 PST
