Re: [AMBER] gnu plot of cpptraj Secstruct

From: George Tzotzos <gtzotzos.me.com>
Date: Fri, 11 Dec 2015 13:22:28 +0100

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).

Thanks once again

George


set pm3d map corners2color c1
set ytics 1.000, 1.000
set ytics("ASP:1" 1.000,"THR:2" 2.000,"THR:3" 3.000,"PRO:4" 4.000,"ARG:5" 5.000,"ARG:6" 6.000,"ASP:7" 7.000,"ALA:8" 8.000,"GLU:9" 9.000,"TYR:10" 10.000,"PRO:11" 11.000,"PRO:12" 12.000,"PRO:13" 13.000,"GLU:14" 14.000,"LEU:15”
……………. etc ……. etc
set cbrange [ -0.500: 7.500]
set cbtics 0.000 7.000 1.0
set palette maxcolors 8
set palette defined (0 "#000000",1 "#0000FF",4 "#00FF00",7 "#FF0000")
set cbtics("None" 0.000,"Para" 1.000,"Anti" 2.000,"3-10" 3.000,"Alpha" 4.000,"Pi" 5.000,"Turn" 6.000,"Bend" 7.000)
set xlabel "Frame"
set ylabel ""
set yrange [ 0.000: 127.000]
set xrange [ 0.000:10002.000]
splot "-" with pm3d title “dssp.gnu”





> On 11 Dec 2015, at 05:55, Lachele Foley <lf.list.gmail.com> wrote:
>
> You forgot to attach the snapshot.
>
> I have no experience with secstruct, but I can wield gnuplot pretty
> well. You can get gnuplot to put just about any label anywhere. If
> the info is in the file, this page might help:
> http://www.gnuplot.info/demo_svg_5.0/datastrings.html See the first
> one where the x-axis labels are read from the file.
>
> Let us know if that came close to what you're asking. Someone with
> more secstruct savvy can probably help more.
>
>
> On Thu, Dec 10, 2015 at 4:42 PM, George Tzotzos <gtzotzos.me.com> wrote:
>> My experience with gnuplot is limited at best. I’m wondering if there’s a way that cpptraj can generate an output with ranges of residue numbers (e.g 1-20-40, etc) rather than residue names on the y-axis. I’m attaching a snapshot for easy reference.
>>
>> Thanks in advance for any assistance
>>
>> George
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> :-) Lachele
> Lachele Foley
> CCRC/UGA
> Athens, GA USA
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber

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Received on Fri Dec 11 2015 - 04:30:04 PST
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