Re: [Rdkit-discuss] Programmatic access to MMFF torsion indices and parameters

Hi Lewis, at the moment the Python ForceField class (either MMFF or UFF) does not have accessors for force-field contributions. There are C++ assessors: https://www.rdkit.org/docs/cppapi/classForceFields_1_1ForceField.html#afbf46190b614f8906aae883d1259e026 but they are not exposed to Python.

[Rdkit-discuss] Programmatic access to MMFF torsion indices and parameters

Hi all, Does anyone have a way to access the atom indices and the parameters for all of the dihedrals (aka torsions) in an MMFF force field object? I noticed that one can set mmffVerbosity=2 to print them to stdout, but I'd like to access them programmatically. I believe Paolo Tosco must have done