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Implementation of SugarSelection #4790

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Implementation of SugarSelection #4790

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62a09ef
Update selection.py
talagayev Nov 14, 2024
95e8ae8
Update selection.py
talagayev Nov 14, 2024
e395524
Update selection.py
talagayev Nov 14, 2024
9b50428
Update selection.py
talagayev Nov 14, 2024
137f69c
Added Test Files for GLYCAM and PDB sugars
talagayev Nov 15, 2024
70b70be
Update datafiles.py
talagayev Nov 15, 2024
a56a95f
Update test_atomselections.py
talagayev Nov 15, 2024
7639858
Update test_atomselections.py
talagayev Nov 15, 2024
4cf52a4
Update datafiles.py
talagayev Nov 15, 2024
7539469
Merge branch 'develop' into sugar_selection
talagayev Jan 11, 2025
a21d40a
Update CHANGELOG
talagayev Jan 11, 2025
cf29e91
Update selection.py
talagayev Jan 11, 2025
2e81fd5
Merge branch 'develop' into sugar_selection
talagayev Jan 19, 2026
14be696
Update package/MDAnalysis/core/selection.py
talagayev Jan 21, 2026
fc42b6d
Update CHANGELOG
talagayev Jan 21, 2026
e517482
Update package/MDAnalysis/core/selection.py
talagayev Jan 21, 2026
38446d0
compression of 6kya.pdb and addition of note about files in datafiles.py
talagayev Jan 21, 2026
a450a28
black formatting
talagayev Jan 21, 2026
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black formatting
talagayev Jan 21, 2026
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1 change: 1 addition & 0 deletions package/CHANGELOG
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Original file line number Diff line number Diff line change
Expand Up @@ -37,6 +37,7 @@ Fixes
DSSP by porting upstream PyDSSP 0.9.1 fix (Issue #4913)

Enhancements
* Addition of 'sugar' token for GLYCAM, PDB and CHARMM sugar selection (Issue #4790)
* Enables parallelization for analysis.diffusionmap.DistanceMatrix
(Issue #4679, PR #4745)

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