Re: [Rdkit-discuss] Strange behavior with MMFFHasAllMoleculeParams()

Dear Sereina, I'll have a look. I suspect it might have something to do with the MMFF94 aromaticity model, but it could also be a bug. I'll get back to you later. Cheers, p. > On 3 Aug 2016, at 08:00, Sereina wrote: > > Dear all, > > I stumbled upon a - to me -

[Rdkit-discuss] Strange behavior with MMFFHasAllMoleculeParams()

Dear all, I stumbled upon a - to me - rather strange behavior with MMFFHasAllMoleculeParams(). I want to generate a molecule from SMILES, check if all MMFF parameters are present, add hydrogens and generate conformers. However, the outcome (error or not error) depends on the order of checking