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
>
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Per
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Received on Fri Mar 25 2011 - 01:00:02 PDT
