[gmx-users] ramachandran plot

Tsjerk Wassenaar tsjerkw at gmail.com
Fri Nov 14 16:02:53 CET 2014


Hi Urszula,

It's a while ago that I made that one, and I don't have the code at hand.
But it's a combination of a density plot (kde2d) with the points laid over,
and a polygon to highlight the forbidden region. These days I'm doing
circular 2D KDEs, whic is more correct. I can send the R code for thay if
you want.

Best,

Tsjerk
On Nov 14, 2014 12:34 PM, "Urszula Uciechowska" <
urszula.uciechowska at biotech.ug.edu.pl> wrote:

> Dear Gromacs users,
>
> I generated the ramachandran plot and would like to colour it in xmgrace
> as it was shown in tutorial:
>  http://nmr.chem.uu.nl/~adrien/course/molmod/analysis2.html
>
> Does anyone know how to do it?
>
> Best regards
> Urszula Uciechowska
>
>
>
>
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