Re: [Rdkit-discuss] Forcing depiction to match input mol block

Hi Adam, By default the RDKit picks the locations to do wedging. There's no built-in function to reapply the wedging from an input mol file (we probably should add this), but you can find a good one here, as part of the ChEMBL structure pipeline:

[Rdkit-discuss] 2D drawing with template

Dear all, The 2D structure drawing code from rdkit import Chem from rdkit.Chem import rdCoordGen m = Chem.MolFromSmiles('CN1C[C@H]2[C@]3([C@@H]1C[C@@H](C=C3)OC)C4=CC5=C(C=C4[C@@H](O2)O)OCO5') template = Chem.MolFromMolFile('template.mol') params = rdCoordGen.CoordGenParams()