Re: [Rdkit-discuss] News on 3D molecule visualization in RDKit (project: RDKit - 3Dmol.js integration)

Hi Malitha, Since we aren't yet ready to merge the GSoC2017 changes onto master, it's better if you do the pull request against the GSoC2017 branch. I will send a separate email with some more details. Best, -greg On Tue, Sep 12, 2017 at 7:06 PM, Malitha Kabir wrote:

Re: [Rdkit-discuss] News on 3D molecule visualization in RDKit (project: RDKit - 3Dmol.js integration)

Hi, I have submitted a pull request at rdkit GSoC2017 branch for merging the most recent development on 3D visualization of molecules. Your comment on that for further improvement is highly appreciate. And please feel free to let me know about the new features. I will definitely try to include

Re: [Rdkit-discuss] how to output multiple Kekule structures

Hi Jason, Jim, You are right; I think an alternative could be the following: >>> from rdkit import Chem >>> suppl=Chem.ResonanceMolSupplier(Chem.MolFromSmiles('c1c1'),Chem.KEKULE_ALL) >>> >>> q=Chem.MolFromSmarts('C-C=C') >>> for mol in suppl: ... molCopy=Chem.Mol(mol) ... for a in