[apbs-users] zeta potential/electrostatic surface potential

[Estelle Suys]

Hi, 

I've been running APBS and it provided me with a .dx file and I could visualize the surface potential and isosurface.

However I'm particularly interested in the numerical value of this PBE equation.

Is there any tool or way for me to depict the zeta potential or average electrostatic surface potential of my protein?

Regards, 

Estelle

[Nathan Baker]

Hello --

We haven't had many requests for this type of analysis before.  However, we do have utilities that could be of use (http://www.poissonboltzmann.org/docs/apbs-utilities/).  Both dxmath and multivalue are programs that allow you to manipulate OpenDX maps with arithmetic procedures (dxmath) and query the map for potential values and specific locations in space (multivalue).

Thanks,

Nathan

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