New
2025_09_4 (Q3 2025) Release
Release_2025.09.4
(Changes relative to Release_2025.09.3)
Acknowledgements
(Note: I'm no longer attempting to manually curate names. If you would like to see your contribution acknowledged with your name, please set your name in GitHub)
Kevin Boyd, Chi Cheng, David Cosgrove, Tad Hurst, Brian Kelley, Niels Maeder, Yakov Pechersky, Eliot Ragueneau, Pat Riley, Ricardo Rodriguez
New Features and Enhancements:
- Add extract mol fragment api (github pull #8811 from bp-kelley)
- Improve
DetermineBondsandDetermineBondOrdersperformance (github pull #8888 from ChiCheng45) - Allow Hs to be ignored in the RMSD alignment functions (github pull #8976 from greglandrum)
- Embed Parameters to JSON (github pull #8977 from nmaeder)
- Allow spaces and special chars in SCSR fullname attrs (github pull #8982 from tadhurst-cdd)
- Allow H removal to be skipped in ShowFeats.py (github pull #8986 from greglandrum)
- some optimizations of AlignPoints() (github pull #8987 from greglandrum)
- Allow adding custom atom and bond matcher functions for substructure searching (github pull #8994 from greglandrum)