v0.4
What's Changed
- Create label.yml by @JohannesKarwou in #91
- Include Black formatting in GH by @JohannesKarwou in #92
- save endstate results as pickle by @JohannesKarwou in #95
- integrate ASFE into the main mutation.py file by @JohannesKarwou in #90
- create conda package for transformato by @JohannesKarwou in #93
- improving charmm domdec support by @JohannesKarwou in #94
- update the handling of lp to the current parmed version by @JohannesKarwou in #89
- improving usability by @JohannesKarwou in #96
- Fixing minor problems with some GH actions by @JohannesKarwou in #99
- No multiple restraints on atom & switch to single topology for restraint generation by @agrass15268 in #104
- Remove irritating name by @JohannesKarwou in #101
- updated parmed by @JohannesKarwou in #111
- new find_mcs function for exclusion of hydrogens by @JohannesKarwou in #110
- adapting name for checking torison atoms by @JohannesKarwou in #112
- adapt some packages by @JohannesKarwou in #117
Full Changelog: v0.3...v0.4