My view is this is currently beyond CDK's capabilities and that part needs a rewrite/not fit for purpose. Like it sort of works but as you see it's a bit half baked.
John On Mon, 25 Jul 2022 at 08:23, dpoly <da...@polyomino.com> wrote: > My goal is to create 3D depictions of small organic molecules, monomers > and polymers, such as sugars, amino acids, polypeptides and the like. > Stereo chemistry is important. > > > > I can use SMILES strings to create a molecular structure and 2D layout > (StructureDiagramGenerator) just fine. 3D (ModelBuilder3D) not so much. > > > > ModelBuilder3D has a note saying that stereochemistry is a “standing > problem”. > > > > Am I on the right track and just need to persevere, or should I look > elsewhere? Any hints? > > > > Regards > > David M Bennett FACS > *------------------------------* > > *Polygamo –** Programming Languages and Players for Games and Puzzles **-- > http://www.polyomino.com <http://www.polyomino.com/>* > > > _______________________________________________ > Cdk-user mailing list > Cdk-user@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/cdk-user >
_______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
