Re: [Rdkit-discuss] Molecule with no atoms, so is it valid?

Thanks for the explanation and the helpful-as-ever code snippets Greg. A molecule without atoms sounds a bit weird to me but it seems to be a perfectly legal (in CTFile definition) to have a no-atom molecule. Each record can hold one molecule (which may be blank). from this very inspiring article

Re: [Rdkit-discuss] Molecule with no atoms, so is it valid?

On Jan 30, 2012, at 9:24 PM, JP wrote: A molecule without atoms sounds a bit weird to me but it seems to be a perfectly legal (in CTFile definition) to have a no-atom molecule. Some SMILES files readers will break if there are no atoms. For example, the Daylight toolkit SMILES parser gives