Hey! I think it would be a really useful feature, especially in the context of molSimplify 2.0, to be able to control whether the ligand is bound on the Re or Si face. This would be a huge help for programmatically generating diastereotopic complexes for asymmetric catalysis, such as ketone or olefin hydrogenation. As far as I can tell, there currently isn’t a good way to do this natively in molSimplify, and the methods I’ve hacked together don’t scale well, such as doing a relaxed scan to place the ligand after generating the rest of the complex.
Hey! I think it would be a really useful feature, especially in the context of molSimplify 2.0, to be able to control whether the ligand is bound on the Re or Si face. This would be a huge help for programmatically generating diastereotopic complexes for asymmetric catalysis, such as ketone or olefin hydrogenation. As far as I can tell, there currently isn’t a good way to do this natively in molSimplify, and the methods I’ve hacked together don’t scale well, such as doing a relaxed scan to place the ligand after generating the rest of the complex.