pub_soft/rdkit
3
0
Fork 0
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-07 22:44:25 +08:00
Code Issues Packages Projects Releases Wiki Activity
7,107 Commits 44 Branches 202 Tags
99aa358fe024a7bf198449eadbd7f2e6da3fa433
Commit Graph

1 Commits

Author SHA1 Message Date
Greg Landrum
f7a98cf718 Support conjugated terminal groups in GetBestRMS() (#5322) 
* add symmetrizeConjugatedTerminalGroups to GetBestRMS()

* make the tests clearer
 2022-06-21 15:08:47 +02:00