Re: [Rdkit-discuss] what if all explicit hydrogens were actual atoms

Sorry this one slipped off my radar. Hopefully a late reply is still helpful. On Thu, Oct 12, 2017 at 10:10 PM, Jason Biggs wrote: > > I'm creating a public-facing data structure that uses the rdkit as the > back end. I don't want to expose three different levels of

[Rdkit-discuss] what if all explicit hydrogens were actual atoms

I'm creating a public-facing data structure that uses the rdkit as the back end. I don't want to expose three different levels of existence for a hydrogen - I want them to be actual Atoms or be implied by valence. What are the consequences of always converting anything the rdkit would return via