I can't seem to get the autodock Pymol plugin to work correctly in
Windows (XP). I think it's a bug somewhere.
I'm using the latest version of autodock grid and dock, and MGL Tools
1.5.4 on Windows XP with Python25, and PyMol 1.2r1
I've emailed the author, Daniel Seeliger, but haven't gotten a reply.
Has any had experience with this?
I'm getting at least 2 different errors:
first, in setting up a receptor. When I click on the PyMOL Selection and
"Generate Receptor" I get the following error:
"Batch: C:\Program Files\MGLTools
1.5.4\MGLToolsPckgs\AutoDockTools\Utilities24\prepare_receptor4.py -r
C:\Program Files\PyMOL\.ADplugin\receptor.dr1a.pdb -o
receptor.dr1a.pdbqt -A checkhydrogens
'{' is not recognized as an internal or external command,
operable program or batch file."
second, if I "Select as Flexible" in the Autodock plugin a PyMol
selection, I get the following Pymol error in background function,
Error: 1
<type 'exceptions.KeyError'> Exception in Tk callback
Function: <bound method Autodock.select_flexible_residues of
<pmg_tk.startup.autodock.Autodock instance at 0x10941580>> (type: <type
'instancemethod'>)
Args: ()
Traceback (innermost last):
File "C:\Program Files\PyMOL/modules\Pmw\Pmw_1_3\lib\PmwBase.py", line
1747, in __call__
return apply(self.func, args)
File "C:\Program Files\PyMOL/modules\pmg_tk\startup\autodock.py", line
1800, in select_flexible_residues
receptor_object = self.receptor_dic[rec]
<type 'exceptions.KeyError'>: ''
Jed
--
------------------------
Jed Goldstone
Research Specialist
Woods Hole Oceanographic Institution
Redfield 3-52 MS#32
Woods Hole, MA 02543
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