Re: [Rdkit-discuss] Fwd: What is correct treatment of bond stereochemistry defined by hydrogen

Yeah, it would be great if you could create an issue for the general problem that removeHs() should not remove H atoms that are contributing to the definition of a stereo bond On Fri, 6 Apr 2018 at 18:49, Dan Nealschneider < dan.nealschnei...@schrodinger.com> wrote: > Thanks, Greg- > > >> >>>

Re: [Rdkit-discuss] Fwd: What is correct treatment of bond stereochemistry defined by hydrogen

Thanks, Greg- > >> What is the correct treatment of bond stereochemistry at centers for >> which a hydrogen is required in order to specify the bond stereochemistry? >> For example, an imine with a hydrogen substituent (trivial example, >> F/C=N/[H]). >> > > In these cases the H cannot be

Re: [Rdkit-discuss] Fwd: What is correct treatment of bond stereochemistry defined by hydrogen

Hi Dan, On Fri, 6 Apr 2018 at 00:24, Dan Nealschneider < dan.nealschnei...@schrodinger.com> wrote: > > What is the correct treatment of bond stereochemistry at centers for which > a hydrogen is required in order to specify the bond stereochemistry? For > example, an imine with a hydrogen