[Rdkit-discuss] bond length in 2D structure drawing

Dear fellow RDKitters, I have an SD file with 2D molecules generated by another Cheminformatics toolkit (yes, there are others! ;-) ). When I depict them with RDKit (with Draw.MolToImage()) they look very condensed with too short bonds and just appear not right. When I re-generate the coordinate

Re: [Rdkit-discuss] a SMILES that rdkit cannot read

Hi, On Mon, Sep 19, 2016 at 5:33 AM, 杨弘宾 wrote: >When I used rdkit to parse a smi file, I found that there was a SMILES > that rdkit cannot parse, and no any error or warning. > > > version: Release_2016_03_1 > >>> mol = Chem.MolFromSmiles('N(CC(O)C1=C\C(=N/#N)\C(=O)C=C1)N=O') > >>> prin

[Rdkit-discuss] a SMILES that rdkit cannot read

hi,? ? When I used rdkit to parse a smi file, I found that there was a SMILES that rdkit cannot parse, and no any error or?warning. version: Release_2016_03_1>>>?mol = Chem.MolFromSmiles('N(CC(O)C1=C\C(=N/#N)\C(=O)C=C1)N=O')>>> print molNone This compound can be read by OpenBabel. But