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无法正常进行对接 #19

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yangzhe1235684 opened this issue Feb 20, 2024 · 1 comment
Open

无法正常进行对接 #19

yangzhe1235684 opened this issue Feb 20, 2024 · 1 comment

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@yangzhe1235684
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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 328, in run
File "process.py", line 490, in do
File "process.py", line 289, 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:', [28.999, 41.694, 2.992], [28.999, 41.694, 2.992], [28.999, 41.694, 2.992])

@lmdu
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lmdu commented Feb 27, 2024

Please, send the dockey project file with extension .dock to me for debug.

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