the job is failed

[kathyli2023]

Traceback (most recent call last): File "MolKit\hydrogenBuilder.py", line 65, in addHydrogens File "MolKit\molecule.py", line 102, in getattr File "MolKit\tree.py", line 496, in getattr File "MolKit\listSet.py", line 170, in getattr File "MolKit\molecule.py", line 366, in getattr AttributeError: member babel_type not found

During handling of the above exception, another exception occurred:

Traceback (most recent call last): File "process.py", line 318, in run File "process.py", line 481, in do File "process.py", line 279, in prepare_receptor File "prepare.py", line 204, in prepare_autodock_receptor File "AutoDockTools\MoleculePreparation.py", line 570, in init File "AutoDockTools\MoleculePreparation.py", line 140, in init File "AutoDockTools\MoleculePreparation.py", line 190, in repairMol File "AutoDockTools\MoleculePreparation.py", line 203, in addHydrogens File "MolKit\hydrogenBuilder.py", line 69, in addHydrogens File "PyBabel\atomTypes.py", line 141, in assignHybridization File "PyBabel\atomTypes.py", line 294, in valence_two File "PyBabel\util.py", line 55, in bond_angle ZeroDivisionError: ('Input used:', [15.174, 30.846, -37.139], [15.174, 30.846, -37.139], [15.174, 30.846, -37.139])

[lmdu]

Try our new version v0.10.0. Go to Edit -> Settings -> Receptor preprocessing tab, uncheck use pdbfixer and pdb2pqr.

[RuikangSun]

Try our new version v0.10.0. Go to Edit -> Settings -> Receptor preprocessing tab, uncheck use pdbfixer and pdb2pqr.

Hi, Dr. Du. I met similar issue when pdbfixer and pdb2pqr checked, 3 of 11 ligands failed. But everything works well when pdbfixer and pdb2pqr unchecked. So are the results reasonable even without pdbfixer and pdb2pqr preparation?