Re: [Rdkit-discuss] Identify and repair broken molecules

Hi Soren, On Thu, Mar 19, 2015 at 5:03 PM, Soren Wacker wrote: > > when generating molecules from smiles and drawing them sometimes show > little red squares around certain atoms. I guess, this means that the > connectivity is wrong. Is there a way to identify and potentially repair > these mole

[Rdkit-discuss] Identify and repair broken molecules

Hi, when generating molecules from smiles and drawing them sometimes show little red squares around certain atoms. I guess, this means that the connectivity is wrong. Is there a way to identify and potentially repair these molecules in rdkit? Thanks Soren -