Re: [Rdkit-discuss] Implicit Hydrogens On Aromatic Hetereoatoms

Greg, That fixed it! Thanks so much, that makes a lot more sense now. -Chris On Fri, Oct 6, 2017 at 1:25 AM, Greg Landrum wrote: > Hi Chris, > > There's an additional step performed during sanitization that recognizes > that the implicit H needs to be on the N. The

Re: [Rdkit-discuss] Implicit Hydrogens On Aromatic Hetereoatoms

Hi Chris, There's an additional step performed during sanitization that recognizes that the implicit H needs to be on the N. The steps of a normal full molecular sanitization operation are documented here: http://www.rdkit.org/docs/RDKit_Book.html#molecular-sanitization The adjustHs() function

[Rdkit-discuss] Implicit Hydrogens On Aromatic Hetereoatoms

Hi! I'm running at an issue with implicit hydrogens on aromatic heteroatoms. I am feeding the following sdf into a mol object: Mrv16c5 10021719092D 28 31 0 0 0 0999 V2000 -2.90000.20760. C 0 0 0 0 0 0 0 0 0 0 0 0 -2.18710.62280. N