Re: [AMBER] DSSP residue vs time graph

From: Myriam Hanna <myriamkhanna.gmail.com>
Date: Wed, 13 Mar 2019 17:54:12 +0100

Thank you for your reply,
what I meant was that I am getting plots (I attached figures) that look like sheets and I want plots like “rmsd”, “rmsf”, “rgyr”, the one entitled ‘secondary structure’. I want the evolution of secondary structure vs time represented like the second image

Myriam

From: Premila Samuel Mohan Dass
Sent: Wednesday, March 13, 2019 17:18
To: AMBER Mailing List
Subject: Re: [AMBER] DSSP residue vs time graph

Hi Miriam
You can try doing 3-dimensional surface plots across the 3 variables of secondary structure,time,residues. Look up Matlab’s surf command or Gnuplot’s 3D plots. I prefer 2D maps so I scaled my Matlab 3d-plot to a 2D using view(2) command which I assume is what gnuplot output is showing you too.

Premila

On Mar 13, 2019, at 11:30 AM, Myriam Hanna <myriamkhanna.gmail.com<mailto:myriamkhanna.gmail.com>> wrote:

Hello,

Is there a way to obtain a graph, a plot (not a ‘map’ the one that is generated by gnuplot) of secondary structure of residues vs time using cpptraj?
I can obtain .gnu .agr .xvg files but none of them show a plot that looks like rmsd or rmsf plots for dssp residues vs time

Thank you for your help

Myriam Hanna
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dssp_map.png
(image/png attachment: dssp_map.png)

dssp_plots.png
(image/png attachment: dssp_plots.png)

Received on Wed Mar 13 2019 - 10:00:02 PDT
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