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PostPosted: Tue Jul 05, 2016 2:21 pm 
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Joined: Tue Jul 05, 2016 2:09 pm
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Hi everyone,

I'm using autodock FR on a Kubuntu Desktop Environment (KDE). I've used AutoDockTools to generate .pdbqt files from initial pdb files of both my receptor and ligand. Autogrid has run fine and given me the .zip file to use in autodock. Autodock seems to run fine and does the docking seemingly without a hitch and then I get this error code when it tries to write the solution:

Code:
 File "/home/sdbunt/Downloads/mgltools2_x86_64Linux2_1.0/MGLToolsPckgs/ADFR/bin/runADFR.py", line 296, in <module>
    adfr.writeSolution(topSol, os.path.join(folder, '%s_%03d'%(options.jobName,jobNum)))
  File "/home/sdbunt/Downloads/mgltools2_x86_64Linux2_1.0/MGLToolsPckgs/ADFR/__init__.py", line 297, in writeSolution
    assert not atomByName.has_key(name), "ERROR atoms with identical names %"%name
ValueError: incomplete format


subsequently I cannot view my solutions - can anyone help?
Thanks, sdbunt


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