Dear all,
I am trying to run the ABPS plugin with PyMOL Version 1.6.0.0 on Ubuntu
12.10. I have compiled pymol from source (
http://www.pymolwiki.org/index.php/Linux_Install).
When running the plugin, I can set the grid, but after clicking on Run
APBS, I get the following error:
Unexpected error: (<type 'exceptions.ImportError'>, ImportError('No module
named pdb2pqr.pdb2pqr',), <traceback object at 0x7fd130771200>)
<type 'exceptions.UnboundLocalError'> Exception in Tk callback
Function: <function <lambda> at 0x7fd13078e398> (type: <type 'function'>)
Args: ()
Traceback (innermost last):
File "/usr/lib/python2.7/dist-packages/Pmw/Pmw_1_3/lib/PmwBase.py", line
1747, in __call__
return apply(self.func, args)
File "/usr/lib/python2.7/dist-packages/Pmw/Pmw_1_3/lib/PmwDialog.py",
line 153, in <lambda>
command=lambda self=self, name=name: self._doCommand(name))
File "/usr/lib/python2.7/dist-packages/Pmw/Pmw_1_3/lib/PmwDialog.py",
line 132, in _doCommand
return command(name)
File "/home/pymol-svn/modules/pmg_tk/startup/apbs_tools.py", line 1036,
in execute
good = self.generatePqrFile()
File "/home/pymol-svn/modules/pmg_tk/startup/apbs_tools.py", line 1007,
in generatePqrFile
good = self._generatePdb2pqrPqrFile()
File "/home/pymol-svn/modules/pmg_tk/startup/apbs_tools.py", line 1615,
in _generatePdb2pqrPqrFile
if retval != 0:
<type 'exceptions.UnboundLocalError'>: local variable 'retval' referenced
before assignment
The first line suggests that the pdb2pqr module cannot be loaded. However,
the grid seems to be set okay. Has anybody encountered this error before
and knows how to solve it?
I have also tried the pymol version that can be installed with apt-get, but
same error.
Thanks for any advice!
Best wishes, Tobias.
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