Re: [Rdkit-discuss] InsertMol() seems to mess up the molecule

Paolo, Thanks. That's sorted it! Tim On Mon, Oct 25, 2021 at 1:18 PM Paolo Tosco wrote: > Hi Tim, > > you only need to call SanitizeMol on merged_mol: > > merged_mol > [image: image.png] > Chem.SanitizeMol(merged_mol) > rdkit.Chem.rdmolops.SanitizeFlags.SANITIZE_NONE > > merged_mol > [image:

Re: [Rdkit-discuss] InsertMol() seems to mess up the molecule

Hi Tim, you only need to call SanitizeMol on merged_mol: merged_mol [image: image.png] Chem.SanitizeMol(merged_mol) rdkit.Chem.rdmolops.SanitizeFlags.SANITIZE_NONE merged_mol [image: image.png] In general, the RDKit defers calling SanitizeMol to the user rather than calling it after each

[Rdkit-discuss] InsertMol() seems to mess up the molecule

I'm trying to merge two molecules into one, and it looks like the InsertMol() function is supposed to do this. But when I try the merged molecule is messed up. [image: image.png] Am I doing the right thing? Thanks Tim ___ Rdkit-discuss mailing list