lmdu / dockey

an integrated tool for molecular docking and virtual screening
https://dockey.readthedocs.io
MIT License
47 stars 8 forks source link

run autodock failed #11

Open drc11 opened 8 months ago

drc11 commented 8 months ago

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:', [15.352, 38.929, 203.579], [15.352, 38.929, 203.579], [15.352, 38.929, 203.579])

During handling of the above exception, another exception occurred:

Traceback (most recent call last): File "process.py", line 322, in run File "process.py", line 250, in update_error File "process.py", line 232, in send_message File "multiprocessing\connection.py", line 206, in send File "multiprocessing\connection.py", line 280, in _send_bytes BrokenPipeError: [WinError 232] 管道正在被关闭。

During handling of the above exception, another exception occurred:

Traceback (most recent call last): File "multiprocessing\process.py", line 314, in _bootstrap File "process.py", line 329, in run File "process.py", line 247, in update_finished File "process.py", line 232, in send_message File "multiprocessing\connection.py", line 206, in send File "multiprocessing\connection.py", line 280, in _send_bytes BrokenPipeError: [WinError 232] 管道正在被关闭。

During handling of the above exception, another exception occurred:

Traceback (most recent call last): File "main.py", line 27, in File "Lib\site-packages\PyInstaller\hooks\rthooks\pyi_rth_multiprocessing.py", line 52, in _freeze_support File "multiprocessing\spawn.py", line 116, in spawn_main File "multiprocessing\spawn.py", line 129, in _main File "multiprocessing\process.py", line 329, in _bootstrap AttributeError: 'NoneType' object has no attribute 'write'

lmdu commented 7 months ago

Fixed it in version 0.10.0.