coleygroup / pyscreener

pythonic interface to virtual screening software
MIT License
85 stars 32 forks source link

pdbfixer missing from requirements #16

Closed agamemnonc closed 2 years ago

agamemnonc commented 2 years ago

Package installs without issue using pip even if pdbfixer is not installed. This will raise an Error during import.

davidegraff commented 2 years ago

It's mentioned in the readme that you'll need to install it manually. pdbfixer is only installable via pip install git+X and requirements like these aren't capable of being packed into a wheel to be distributed on PyPI