schrodinger.application.bioluminate.tap.structure_annotation module

Annotate antibody structures with the inputs used by TAP scoring.

The annotations identify surface-exposed residues, IMGT antibody regions, surface-exposed salt bridges, and TAP’s CDR vicinity (the IMGT CDRs plus two anchor residues and nearby exposed residues). These classifications reproduce the released TAP/TNP implementation where it differs from the paper.

schrodinger.application.bioluminate.tap.structure_annotation.annotate_structure(st: Structure) → None

Annotate the given structure using the TAP numbering scheme.

Parameters:

st – The structure to annotate.

schrodinger.application.bioluminate.tap.structure_annotation.annotate_surface_exposed_residues(st: Structure) → None

Annotate the surface-exposed residues in the given structure.

Parameters:

st – The structure to annotate.

schrodinger.application.bioluminate.tap.structure_annotation.annotate_cdr_vicinity_residues(st: Structure) → None

Annotate TAP CDR-vicinity residues in the given structure.

Parameters:

st – The structure to annotate.