Hi,
On Tue, Feb 16, 2016 at 2:58 AM, Ayesha Kanwal
<ayesha_comsian.hotmail.com> wrote:
> Hi All,
> i want to calculate PCA of protein and want to present in graphical way.
> is there any script that can i use for plotting and calculation of PCA?
Your question is a bit vague. I'm guessing that you mean you want to
plot projections of your coordinates along principal components. For
some recent papers that incorporate of these kinds of calculations (as
well as example cpptraj scripts) see these articles and their
supporting info:
http://pubs.acs.org/doi/abs/10.1021/jp4125099
http://pubs.acs.org/doi/abs/10.1021/ct400862k
Note that these examples are just the tip of the iceberg - there are
many, many other examples of people analyzing and plotting various
quantities from principal component analysis in the literature.
Hope this helps,
-Dan
>
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Tue Feb 16 2016 - 07:30:03 PST
