Hi,
I am trying to generate some electrostatic surfaces using the APB
plugin, but I am getting the following error message when I click on the Set
Grid button.
--------------------------
PDB2PQR - a Python-based structural conversion utility
--------------------------
Please cite your use of PDB2PQR as:
Dolinsky TJ, Nielsen JE, McCammon JA, Baker NA.
PDB2PQR: an automated pipeline for the setup, execution,
and analysis of Poisson-Boltzmann electrostatics calculations.
Nucleic Acids Research 32 W665-W667 (2004).
Exception raised by main.mainCommand!
(<type 'exceptions.UnboundLocalError'>, UnboundLocalError("local variable
'bestangle' referenced before assignment",), <traceback object at 0x112f28ef0>)
In show error 2
Could not generate PDB2PQR file. _generatePdb2pqrPqrFile failed.
Could not generate PQR file!
I am a Mac PowerBook, running Mountain Lion OSX 10.8.
I am running PyMol as PyMOLX11Hybrid.app so I can use the plugins. I have
downloaded the latest versions APBS and PDB2PQR and copied apbs, prize.py and
pdb2pqr.py into the default free mol locations inside the application, and I am
using the 1.5.0.4 prebuilt incentive version of PyMol.
Any suggestions as to how to pursue and fix this problem?
Thanks,
Warren Gallin
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