Residue Bonded Axes#319

Draft

ioanaapapa wants to merge 39 commits into

mainfrom

26-residue-bonded-axes

Commits on Mar 12, 2026

data_container at UA level is now formed of a residue group and customised axes for rotation at residue level are introduced
ioanaapapa
committed

Commits on Mar 17, 2026

update from main
ioanaapapa
committed

Commits on Mar 25, 2026

added new functions to find custom backbone
ioanaapapa
committed

Commits on Apr 1, 2026

backbone is now returned as MDAnalysis atom group; backbone COM is used as center rather than average position of atoms
ioanaapapa
committed

Commits on Apr 15, 2026

Merge branch 'main' into 26-residue-bonded-axes
ioanaapapa
committed

Commits on Apr 17, 2026

Commits on Apr 20, 2026

Merge branch 'main' into 26-residue-bonded-axes
ioanaapapa
committed

Commits on Apr 27, 2026

removed duplicate return statement
ioanaapapa
committed

Commits on Apr 28, 2026

Commits on Apr 30, 2026

Commits on May 1, 2026

fixed translation centre for single heavy atom case
ioanaapapa
committed

Commits on May 11, 2026

changed test_get_UA_axes_raises_when_bonded_axes_fail
ioanaapapa
committed

Commits on Jun 1, 2026

Merge branch 'main' into 26-residue-bonded-axes
ioanaapapa
committed

Commits on Jun 8, 2026

correction for single heavy atom case
ioanaapapa
committed

Commits on Jun 9, 2026

changed residue level test for vanilla axes
ioanaapapa
committed

Commits on Jun 11, 2026

changed residue axes to match NCC for proteins
ioanaapapa
committed