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!
Best,
Shiven
On Thu, Apr 15, 2010 at 12:01 AM, J. Fleming <moloch...@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.
> -Jon
>
>
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