Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

pybel has no attribute 'Smarts'? #9

Open
sethnlyman opened this issue Apr 21, 2021 · 2 comments
Open

pybel has no attribute 'Smarts'? #9

sethnlyman opened this issue Apr 21, 2021 · 2 comments

Comments

@sethnlyman
Copy link

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
Copy link

ShuxuanXu commented May 3, 2021

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

pip install openbabel=2.4.1 worked out for me!

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

3 participants