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
> > _______________________________________________
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> > 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
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Received on Fri Mar 25 2011 - 01:00:02 PDT
