Residue Bonded Axes#319

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ioanaapapa wants to merge 53 commits into

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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
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Commits on Mar 17, 2026

update from main
ioanaapapa
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Commits on Mar 25, 2026

added new functions to find custom backbone
ioanaapapa
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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
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Commits on Apr 15, 2026

Merge branch 'main' into 26-residue-bonded-axes
ioanaapapa
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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
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Commits on Apr 28, 2026

Commits on Apr 30, 2026

Commits on May 1, 2026

fixed translation centre for single heavy atom case
ioanaapapa
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Commits on May 11, 2026

changed test_get_UA_axes_raises_when_bonded_axes_fail
ioanaapapa
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Commits on Jun 1, 2026

Merge branch 'main' into 26-residue-bonded-axes
ioanaapapa
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Commits on Jun 8, 2026

correction for single heavy atom case
ioanaapapa
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Commits on Jun 9, 2026

changed residue level test for vanilla axes
ioanaapapa
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Commits on Jun 11, 2026

changed residue axes to match NCC for proteins
ioanaapapa
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