The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
If RDKit is installed, _polymer_openmm_pdbfile_to_offtop is not implemented. It's passed some incredibly large arguments which are bubbled up to the user alongside a private method name.
To Reproduce
Attempt to run something like Topology.from_pdb on a PDB file containing a peptide without RDKit installed.
Describe the bug
If RDKit is installed,
_polymer_openmm_pdbfile_to_offtopis not implemented. It's passed some incredibly large arguments which are bubbled up to the user alongside a private method name.To Reproduce
Attempt to run something like
Topology.from_pdbon a PDB file containing a peptide without RDKit installed.Output
It's too long to paste here, a few hundred or thousands of lines long:https://github.com/openforcefield/openff-toolkit/actions/runs/5425643381/jobs/9869963442