ADL: AttributeError: Bond instance has no attribute 'activeTors'

svohra shabana.vohra at gmail.com
Wed Jul 17 04:35:49 PDT 2013


Hi,

I am using ADT tools (version 1.5.6) to choose the torsions. When I click on
choose torsion it does not do anything. When I try to output the ligand as
pdbqt, it gives the following error

ERROR *********************************************
Traceback (most recent call last):
  File
"/Users/shabana/PROGRAMS/mgltools_i86Darwin9_1.5.6/MGLToolsPckgs/ViewerFramework/VF.py",
line 898, in tryto
    result = command( *args, **kw )
  File
"/Users/shabana/PROGRAMS/mgltools_i86Darwin9_1.5.6/MGLToolsPckgs/AutoDockTools/autotorsCommands.py",
line 1374, in doit
    mol.LPO.write(filename)
  File
"/Users/shabana/PROGRAMS/mgltools_i86Darwin9_1.5.6/MGLToolsPckgs/AutoDockTools/MoleculePreparation.py",
line 888, in write
    self.writer.write(mol, outputfilename)
  File
"/Users/shabana/PROGRAMS/mgltools_i86Darwin9_1.5.6/MGLToolsPckgs/AutoDockTools/MoleculePreparation.py",
line 1073, in write
    ligand.torscount = len(ligand.allAtoms.bonds[0].get(lambda
x:x.activeTors))
  File
"/Users/shabana/PROGRAMS/mgltools_i86Darwin9_1.5.6/MGLToolsPckgs/MolKit/tree.py",
line 622, in get
    result = filter(selectionString, self.data)
  File
"/Users/shabana/PROGRAMS/mgltools_i86Darwin9_1.5.6/MGLToolsPckgs/AutoDockTools/MoleculePreparation.py",
line 1073, in <lambda>
    ligand.torscount = len(ligand.allAtoms.bonds[0].get(lambda
x:x.activeTors))
AttributeError: Bond instance has no attribute 'activeTors'

I am running adt tools on it on MAC 10.8.4. Is it a bug? Any suggestions?

Thanks,
Shabs



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