Releases: SimonBoothroyd/mdtop
Releases · SimonBoothroyd/mdtop
Release list
0.0.3
What's Changed
- Add residue insertion code and improve OE support by @SimonBoothroyd in #5
- Add utility to split topology into components by @SimonBoothroyd in #6
Full Changelog: 0.0.2...0.0.3
0.0.2
What's Changed
- Allow metadata on atoms, bonds, and topologies by @SimonBoothroyd in #2
- Allow writing to SDF / MOL through RDKit by @SimonBoothroyd in #3
- [Experimental] Add initial OE support by @SimonBoothroyd in #4
Full Changelog: 0.0.1...0.0.2
0.0.1
What's Changed
- Assign atoms from RDKit unique names by default by @SimonBoothroyd in #1
New Contributors
- @SimonBoothroyd made their first contribution in #1
Full Changelog: https://github.com/SimonBoothroyd/mdtop/commits/0.0.1