Dear fellows,
I was not able to output a ligand molecule as a pdbqt file after adding hydrogen to it. If I don't add, then I can. The error message is:
Traceback (most recent call last):
File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\ViewerFramework\VF.py", line 941, in tryto
result = command( *args, **kw )
File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\AutoDockTools\autotorsCommands.py", line 1394, in doit
mol.LPO.write(filename, write_CONECT=value)
File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\AutoDockTools\MoleculePreparation.py", line 885, in write
self.writer.write(mol, outputfilename)
File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\AutoDockTools\MoleculePreparation.py", line 1070, in write
ligand.torscount = len(ligand.allAtoms.bonds[0].get(lambda x:x.activeTors))
File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\MolKit\tree.py", line 622, in get
result = filter(selectionString, self.data)
File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\AutoDockTools\MoleculePreparation.py", line 1070, in
ligand.torscount = len(ligand.allAtoms.bonds[0].get(lambda x:x.activeTors))
AttributeError: Bond instance has no attribute 'activeTors'
Can someone help, please? thank you!
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