VMD-L Mailing List

From: Sabine Reisser (sabine.reisser_at_kit.edu)
Date: Mon Sep 24 2012 - 09:41:04 CDT

Hi,

I use APBS to calculate the electrostatic surface potential and the
solvent accessible surface of a peptide. I would like to combine these
two to calculate the accessible hydrophobic surface area and compare it
to different molecules.
So here are in fact three questions:
- how can I project the electrostatic potential on the solvent
accessible surface?
and
- how can I get a number for the visualized surface area?
- how can I limit the calculation of the area by saying 'i want only the
part of the area where solvent accessibility is > x and electrostatic
potential is between y and z'?

Thanks for reading, I'd be very glad if someone could help.

Cheers
Sabine