Rule-based filter for stereoisomers in bridged ring systems

User 8bc8ccad88

27-08-2009 09:31:52

Hi there,

as calculating 3d conformations is pretty slow, I often do not use the "filter invalid 3D structures" option when I calculate stereoisomers.

This can (of course) result in many physically unreasonable structures. The adamantane example in the attachement produces 16 stereoisomers (from which only two are valid).

Can you imagine to add some filter rules for small bridged ring systems (as you already apply for small-sized cycloalkenes which only have Z-configuration)?

Greets, Ingo



ChemAxon e08c317633

28-08-2009 13:39:09

Hi Ingo,

Good idea, we have noted this feature request, and will implement it in the future, but not in the near future, I'm afraid.