[relase 0.0.8 was yanked because of small bug, we repeat the release notes here]
Most important changes:
-
Python 3.12 support added (see note on installation)
-
Consensus labels can now be used to streamline analysis across different sequences
- to define neighborhoods
- to define sequence-independent sites
- to refine interface selections (see below)
- as plot labels and as "sort_by" in plots
-
API BREAKs
- Definition of interfaces is made easier with refactor:
frag_idxs_group_1, frag_idxs_group_2'
becomeinterface_selection_1, interface_selection_2
- new parameter
AA_selection
, accepts flexible amino-acid selection self_interface
operates differently, simply deleting self-contacts if not set to True
- Some added returned values of public methods (e.g.
repframes
andflareplot_attrs
) might break existing code, but its easy to adapt
- Definition of interfaces is made easier with refactor:
-
One new notebooks and new example datasets
-
See the full log for all changes
Relevant PRs
- [python-package] add py312 by @gph82 in #50
- Select by grn by @gph82 in #51
- [nomenclature._sort_all_consensus_labels] API CHANGE return also sort… by @gph82 in #52
Full Changelog: 0.0.7...0.0.9