drugforge.spectrum.calculate_rmsd.get_residue_mapping

drugforge.spectrum.calculate_rmsd.get_residue_mapping(seq_ref: str, seq_mob: str) → tuple[int, int][source]

Aligns two sequences and returns the correct start and end residue indices, ignoring gaps

Parameters:

  • seq_ref (str) – string of reference sequence

  • seq_mob (str) – string of mobile sequence

Returns:

start and end residue indices (1-based indexing)

Return type:

tuple[int, int]