On Wed, 3 Oct 2018 06:21:06 +0200 Greg Landrum <greg.land...@gmail.com> wrote:
> The atom ordering in the RDKit molecule created from a SMILES or Mol block > will always be the same and will corresponds to the ordering of the atoms > in the input ... provided your molecule has no protons and/or you don't removeH/addH in the process. -- Dmitri Maziuk <dmaz...@bmrb.wisc.edu> _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
