hydrogen atoms in protein-small molecule design example

[Feanor007]

Hi,

Thanks for releasing this amazing tool!

Upon running the small-molecule binder examples against the ligand IAI, I received the following warning:

WARNING atomworks.io: We can't fix formal charges without building from templates, as we need to know the true number of hydrogens bonded to a given atom, not the inferred number. This may lead to occasional inaccuracies after adding inter-residue bonds. To avoid this and fix formal charges, set add_missing_atoms = True.

Should I follow the suggestion to set add_missing_atoms = True, or should I prepare the PDB with hydrogen atoms added before feeding it into RFD3?

[Ubiquinone-dot]

Nono this is a usual warning it's all good