Rule-based filter for stereoisomers in bridged ring systems

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

 

 

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.

Zsolt