schrodinger.application.bioluminate.tap.salt_bridge module

Find salt bridges using SAbPred TAP rules for salt bridge detection.

schrodinger.application.bioluminate.tap.salt_bridge.annotate_salt_bridges(st: Structure) → None

Annotate the salt bridges in the given structure.

“Salt bridges were defined as pairs of lysines/arginines and aspartic acids/glutamic acids with a [N+ to O-] distance 3.2 Å.”

Parameters:

st – The structure to annotate.

schrodinger.application.bioluminate.tap.salt_bridge.find_salt_bridges(st: Structure) → Iterator[tuple[Residue, Residue]]

Yield surface residue pairs that meet TAP’s salt-bridge definition.

schrodinger.application.bioluminate.tap.salt_bridge.has_salt_bridge_annotation(residue) → bool

Check if a given residue is part of a salt bridge.

Parameters:

residue – The amino acid residue.

Returns:

True if the residue is part of a salt bridge, False otherwise.