loftytopping/UManSysProp_public

pybel has no attribute 'Smarts'?

Opened this issue · 2 comments

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.

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

pip install openbabel=2.4.1 worked out for me!