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OpenFreeEnergy / openfe_analysis Public

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[DNM] Refactor rmsd.py#75

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hannahbaumann wants to merge 6 commits intofix_rmsd_multichainOpenFreeEnergy/openfe_analysis:fix_rmsd_multichainfrom

rmsd_refactorOpenFreeEnergy/openfe_analysis:rmsd_refactorCopy head branch name to clipboard

Conversation Commits6 (6)Checks Files changed

Open

[DNM] Refactor rmsd.py#75
hannahbaumann wants to merge 6 commits intofix_rmsd_multichainfrom
rmsd_refactor

Commits

Commits on Jan 29, 2026

Small fix
hannahbaumann
committed
fix
hannahbaumann
committed
Use ligand selection string instead of resname
hannahbaumann
committed

Commits on Jan 30, 2026

Update test files
hannahbaumann
committed
Rename ligand_wander to ligand_COM_drift
hannahbaumann
committed
split out per state analysis into its own function
hannahbaumann
committed

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