[Rdkit-discuss] Atoms with strange positions/bonds when drawer makes PNG

2016-02-16 Thread Paul Emsley
Dear RDKitters, I have the following test code: std::string smiles="Clc1c1"; RDKit::ROMol *m_local = RDKit::SmilesToMol(smiles); RDDepict::compute2DCoords(*m_local); RDKit::Conformer conf = m_local->getConformer(); WedgeMolBonds(*m_local, ); bool includeStereo = true;

Re: [Rdkit-discuss] MolsToGridImage with varying number of mols per row

2016-02-16 Thread Greg Landrum
Hi Joos, On Tue, Feb 16, 2016 at 7:34 AM, Joos Kiener wrote: > > I'm trying to draw a grid using Draw.MolsToGridImage. However I have > different number of molecules per row. If I use "None" for columns where no > molecules should be an exception is thrown (c++ signature