VMD-L Mailing List

From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Wed Feb 08 2017 - 14:28:31 CST

Hi Olga,

If I understand you correctly, you want to do something similar to the abstract image for 10.1021/jp4089113, with a PMF put on top of a molecular image? Vector graphics editors inkscape (free) or Illustrator (definitely not free) combined with gimp/photoshop are the two programs that come to mind for me, since they both can import the vector postscript files that xmgrace exports natively, as well as deal with placing molecular images saved in a variety of formats. You could also use a variety of python libraries (pillow or numpy+matplotlib) to do the image manipulation programmatically.

-Josh

On 02/08/2017 12:11 PM, Olya Kravchenko wrote:
Hi all,

I am trying to come up with a better way to visualize my PMF data (with distance as reaction coordinate) and I wanted to overlap the plot with the projection image of the channel. Apart from doing it in word/photoshop/gimp and/or presenting them side by side, does anyone know if there a software that maybe was meant especially for this or similar purpose? Something where I could combine the protein image and, say, xmgrace or gnuplot results?

Google search was unsuccessful, but maybe I am missing something obvious.

Thanks in advance!

Olga