Thank you very much for your help.
Catherine
> Date: Fri, 25 Mar 2011 08:55:13 +0100
> From: pgreisen.gmail.com
> To: amber.ambermd.org
> Subject: Re: [AMBER] Any manual for python or perl to transform a matrix for data analysis?
>
> yes you can use numpy for this - there are good tutorials so you
> should be able to learn the syntax even with little programming
> experience
>
> have a look here
>
> http://numpy.scipy.org/
>
> hope this helps
>
> On Fri, Mar 25, 2011 at 8:46 AM, Catein Catherine
> <askamber23.hotmail.com> wrote:
> >
> > Dear Jason,
> >
> > Are there any easy reading manual for learning Python or Perl? If we want to transform a two-column table to histogram or in a form of matrix. Can it be done it with Python or Perl?
> >
> > An example is I have trajectories for several proteins, I extracted angle and distance from the trajectories.
> >
> > Protein A Protein B Protein C
> > Angle1---Distance1 Angle1---Distance1 Angle1---Distance3
> > Angle2---Distance3 Angle2---Distance1 Angle2---Distance3
> > Angle3---Distance3 Angle3---Distance1 Angle3---Distance3
> > Angle4---Distance2 Angle4---Distance2 Angle4---Distance3
> >
> > Then, I would like to done a table with the following format.
> >
> > Protein A Protein B Protein C
> > Angle1 Distance1 Distance1 Distance3
> > Angle2 Distance3 Distance1 Distance3
> > Angle3 Distance3 Distance1 Distance3
> > Angle4 Distance2 Distance2 Distance3
> >
> > Best regards,
> > Catherine
> >
> >> Date: Thu, 24 Mar 2011 08:31:21 -0700
> >> From: jason.swails.gmail.com
> >> To: amber.ambermd.org
> >> Subject: Re: [AMBER] How do I plot the angle population distribution
> >>
> >> It may be a good time to learn a programming or interpreted language (i.e.
> >> C, Python, Perl, etc.). I use Python, myself, as it's an easy language to
> >> learn (natural syntax), quick to write programs, and powerful in terms of
> >> what it can do. I wrote my own binning script to do this type of thing.
> >>
> >> I don't think I use any software that does this easily (although I think
> >> that functionality is hidden somewhere inside gnuplot, but it's not terribly
> >> straightforward).
> >>
> >> Good luck,
> >> Jason
> >>
> >> On Thu, Mar 24, 2011 at 6:42 AM, Bingwu Yu <amber.qna.gmail.com> wrote:
> >>
> >> > Hi All,
> >> >
> >> > after ptraj, thousands of angles were calculated. What software do you use
> >> > to plot the population distribution of angles in a range? I can use Excel
> >> > countif function. just wonder if there is a better way to do it.
> >> >
> >> > Thanks!
> >> >
> >> > Bingwu
> >> > _______________________________________________
> >> > AMBER mailing list
> >> > AMBER.ambermd.org
> >> > http://lists.ambermd.org/mailman/listinfo/amber
> >> >
> >>
> >>
> >>
> >> --
> >> Jason M. Swails
> >> Quantum Theory Project,
> >> University of Florida
> >> Ph.D. Candidate
> >> 352-392-4032
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Per
>
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Received on Fri Mar 25 2011 - 01:30:02 PDT
