VMD-L Mailing List

From: horst_at_lillig.de
Date: Fri Mar 17 2017 - 02:53:37 CDT

Dear fellows,

I would like to extract some numerical data from the electrostatic calculations, computed using the APBS extension.

Mostly, I'd be interested to extract numerical data for further calculations regarding the visualization in form of isosurfaces [-1/+1].

Is there a way to extract these, e.g. in form of x,y,z coordinates + charge?

Thank's in advance, Christopher Horst Lillig