VMD-L Mailing List

From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Thu Feb 21 2019 - 14:22:21 CST

Hi Bassam,

I'm unaware of a plugin to do this, but if you like python, GridDataFormats (https://www.mdanalysis.org/GridDataFormats/) has the tools you need to turn a .dx file into a numpy array that you can slice however you like and either plot directly in matplotlib or export it to a format that your preferred plotting utility uses.

-Josh

On 2019-02-21 12:45:41-07:00 owner-vmd-l_at_ks.uiuc.edu wrote:

Hi Everyone,
I am working with ion channels, and using constant E-Field simulations. It would be nice to plot the voltage as a function of the z-axis, however I am unsure how to retrieve this information from the volumetric .dx file. Is there a VMD plugin available to extract this info, or will I have to write a script. If the latter is the case, could someone point me in the right direction?
Thank you,
Bassam