Dan Nealschneider

Thanks Yuri, and sorry for the confusion. Let me know if there's a better place to document than here: https://github.com/schrodinger/coordgenlibs#templates I'll also add comments to the code here, and we'll...

ugh, we _just_ accidentally blew up coordgen time by at least 10x, which should be addressed in - #90 Sorry about that. When #90 is merged, I'll immediately issue a...

great! This issue is should remain open; I feel like the current rate is still too slow. But it's acceptable for many use cases.

Nic - I noticed that QA closed https://jira.schrodinger.com/browse/CRDGEN-274 as fixed. Is this still needed?

ooh, that's very exciting. It looks like the dof step freaked out about the 1-0 and 3-4 bonds crossing.

Thanks, @jasondbiggs . This is great to know. Have you seen many examples of this?

Thanks for the report, @DavidACosgrove. There may be something that we should double check in RDKit's invocation of coordgen, but this is most likely an issue strictly on the coordgen...

@shubbey - Where are you using coordgen?

You are welcome to submit PRs! I think the solution to this is to mostly remove coordgen's internal detection of stereochemistry and rely on the caller's detection. We weren't able...

Great discussion, everyone! Please move further discussions to the "discussion" tab.