Hi Jon,

Perhaps you could look at VASCo  http://genome.tugraz.at/VASCo/

I have found it to work extremely well on Windows and Linux platforms.
You not only get electrostatics but also hydrophobic surface coloring, and all without the APBS and Python "hassles and headaches".

Sorry to be knocking down APBS+PyMOL integration like this, but IMHO VASCo does a stellar job as far as integrating outside programs with PyMOL goes.

Good luck!


On Thu, Apr 15, 2010 at 12:01 AM, J. Fleming <moloch525@gmail.com> wrote:
Hi all,

 I've been trying to get APBS Tools and/or APBSTools2 running for a
few weeks now on multiple linux systems (RedHat and Fedora).  I've
Installed MALOC and APBS Tools.  I can start up Pymol through Phenix,
load a .pqr generated from a PDB2PQR server, start APBS Tools, set the
grid, but when I click on Run APBS I get: "ObjectMapLoadDXFile-Error:
Unable to open file!"

 If I use the "pymol generated PQR" option with my .pqr even though
it is a PDB2PQR server generated file APBS runs and states "X atoms
did not have properties assigned" and to either remove or fix the
atoms.  How can I fix them?  The "problem" residues are just regular
amino acids; no split confrimations etc.  I've also tried editing out
the PDBs chain name before converting to the PDB to PQR but that
didn't work.

Another things I've tried is using APBSTools 2 but it errors as soon
as I click "set grid" with: Error: 2 ... Attribute Error: elec_radius.

I really need to get this to work but I have no clue what to try next.

Thanks in advance for any thoughts.

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