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?