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RosettaCommons / foundry Public

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Fix ligand res_id offset to match AF3 convention#261

Merged

Ubiquinone-dot merged 5 commits intoproductionRosettaCommons/foundry:productionfrom

fix/rfd3-ligand-resid-offsetRosettaCommons/foundry:fix/rfd3-ligand-resid-offsetCopy head branch name to clipboard

Apr 5, 2026

Conversation Commits5 (5)Checks Files changed

Merged

Fix ligand res_id offset to match AF3 convention#261
Ubiquinone-dot merged 5 commits intoproductionfrom
fix/rfd3-ligand-resid-offset

Commits

Commits on Apr 5, 2026

Fix ligand res_id offset to match AF3 output convention

Ubiquinone-dot
and
claude
committed
Generalize chain validation to all existing chains

Ubiquinone-dot
and
claude
committed
Error on multiple ligands per chain; preserve gaps in override mode

Ubiquinone-dot
and
claude
committed
Use legacy res_id offset when allow_ligand_on_existing_chain is True

Ubiquinone-dot
and
claude
committed
Note in errors that override restores old behaviour

Ubiquinone-dot
and
claude
committed

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