Re: [AMBER] gnu plot of cpptraj Secstruct

From: George Tzotzos <gtzotzos.me.com>
Date: Fri, 11 Dec 2015 15:01:54 +0100

Thank you Jason.

I managed to get the output I need on X-terminall. My last question is how do I produce a printable file (e.g png).

I added to the gnuplot script
set term png
set output “myfile.png”

The output was an empty png file.


> On 11 Dec 2015, at 14:43, Jason Swails <jason.swails.gmail.com> wrote:
>
> On Fri, Dec 11, 2015 at 7:22 AM, George Tzotzos <gtzotzos.me.com> wrote:
>
>> Thank you very much for the help.
>>
>> The Amber list seems to have stripped my attachment. I include it in this
>> email too.
>>
>> Secstruct produces a gnuplot script a sample of which is at the end of
>> this message. The script is then run by cpptraj on the fly.
>>
>> I guess the problem(???) is with set ytics(“ASP:1 1.000,”THR:2”, etc).
>>
>> Do I have to run gnuplot outside cpptraj by removing the ytics manually
>> and also changing the set yrange to [1:125] (125 is the last residue).
>>
>
> ​Unless you want to change the cpptraj source code to print the gnuplot
> script you want, yes. But this should not be a problem. cpptraj creates
> the gnuplot script for you, so all you have to do is modify that, then run:
>
> gnuplot <script>
>
> HTH,
> Jason​
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber


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Received on Fri Dec 11 2015 - 06:30:03 PST
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