search

schrodinger / coordgenlibs

Schrodinger-developed 2D Coordinate Generation
BSD 3-Clause "New" or "Revised" License
42 stars 28 forks source link

add template for norbornane #101

Closed ZontaNicola closed 7 months ago

ZontaNicola commented 3 years ago

added template, also modified the ring detection algorithm so that norbornane triggers the template search

d-b-w commented 3 years ago

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

ZontaNicola commented 3 years ago

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 this so we get the nice hexagonal shape with the template but the other one honestly looks really nice too

ZontaNicola commented 7 months ago

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