pybel has no attribute 'Smarts'?

loftytopping / UManSysProp_public

Source code for predictive techniques provided in the UManSysProp facility.

GNU General Public License v3.0

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pybel has no attribute 'Smarts'? #9

Open sethnlyman opened 3 years ago

sethnlyman commented 3 years ago

I am trying to run PyBox (https://github.com/loftytopping/PyBox) and when I try to run umansysprop I keep getting the error AttributeError: module 'pybel' has no attribute 'Smarts'. This is triggered by line 31 in \umansysprop\data__init__.py. I apologize if this is a stupid error. I am a neophyte.

ShuxuanXu commented 3 years ago

Hi, you might want to check the version of openbabel. If you are using Anaconda, please switch to the environment you set for PyBox and try conda list openbabel if version number is 3.x.x, you might want to downgrade openbabel to 2.x.x (possibly 2.4.1), because openbabel/pybel made some major changes to their APIs when jumping from 2.4.1 to 3.0.0. You could try to uninstall openbabel and re-install it with conda install -c conda-forge openbabel=2.4.1

aggelos-michael-papadopoulos commented 1 year ago

pip install openbabel=2.4.1 worked out for me!