Nic Zonta

this happens because we now try to first open one ring and generate the rest of the coordinates and when we can't do that resort to templates. I'm actually happy...

yes, oddly enough there's no template for norbornane sorry, I had checked straight away but forgot to reply, my bad.

I opened a ticket to track the addition of the template

I haven't double checked what I am about to say, but it seems to me that norbornane qualifies as two "central" rings, SSSR wise it's two 5 membered rings and...

My previous message was probably misleading. With 1 or 2 common atoms we can feel safe to tag a ring as "side" and confident we can get its coordinates properly....

> Nic - > I noticed that QA closed https://jira.schrodinger.com/browse/CRDGEN-274 as fixed. Is this still needed? oh yeah! looks like we're doing well without a template... maybe I'd still merge...

I don't think this is needed anymore. Closing the PR

Thanks! I can reproduce this. I wonder if the methyl somehow interfers with a template for that ring system. @rachelnwalker is it possible to get an idea of what happens...

wow so interesting, thanks! It looks like the shape of the fragment changed from having the 1 atom as a bridge to having 3-4 as a bridge but somehow the...

I disabled this kind of DoFs (I understand the problem but I don't think it's worth fixing at this stage). attaching a pic PR will follow