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 ------------------------------------------------------------------------------ This SF.Net email is sponsored by the Verizon Developer Community Take advantage of Verizon's best-in-class app development support A streamlined, 14 day to market process makes app distribution fast and easy Join now and get one step closer to millions of Verizon customers http://p.sf.net/sfu/verizon-dev2dev _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net