[Rdkit-discuss] How to assign stereochemistry from CIP code?

When creating a molecule, I can set a stereocenter by setting the chiralTag to be clockwise or counterclockwise, and get back the absolute chirality int atoms [5] = {7, 6, 6, 8, 9}; RDKit::RWMol *mol = new RDKit::RWMol(); for (int i : atoms) { RDKit::Atom atom(i); mol->addAtom(); }

[Rdkit-discuss] Cheminformatics Job Opportunity

We use RDKit and similar tools a lot, and experience with them is highly desired for this position! If there is a better rdkit list for this kind of message, please let me know. [Job Description] Arzeda is seeking a full-stack computational scientist & software engineer equally at home with