lmdu / dockey

an integrated tool for molecular docking and virtual screening
https://dockey.readthedocs.io
MIT License
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(MacOS) AttributeError: member babel_type not found #9

Open zsemersky opened 1 year ago

zsemersky commented 1 year ago

I saw another post related to this error where the solution was in Edit -> Settings -> Receptor preprocessing tab. However, on MacOS, the edit tab does not have a Settings panel, nor does any of the other panels. Attached is a screenshot. Is there a workaround to this?

Here is the error:

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 335, 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:', [-33.236, 47.639, 26.683], [-33.236, 47.639, 26.683], [-33.236, 47.639, [26.683])

Screenshot 2023-10-20 at 7 08 39 AM
lmdu commented 1 year ago

Thank you for reporting this issue. The MacOS system have removed the settings menu. I will fix it in next version.

lmdu commented 1 year ago

I have fixed it in version v0.10.1. I have added a icon into toolbar for opening setting dialog.