Hi Noel,
thank you, that's very helpful.
That document is the first stop when I'm migrating stuff, but I completely
missed the concept, since I was looking for an explicit mention of that
function. Although, from what's written there, I assumed that:
OBMol.UnsetFlag(OB_PH_CORRECTED_MOL)
wold
Hi Stefano,
Most of the changes in 3.0 are described at
https://open-babel.readthedocs.io/en/latest/UseTheLibrary/migration.html#molecule-atom-and-bond-flags.
In short, OBMol::SetPartialChargesPerceived(false). The rationale for this
change is described at https://github.com/openbabel/openbabel/pu
