def compute_input_vector_from_files( self, ligand_pdb_filename, receptor_pdb_filename, line_header): """Computes feature vector for ligand-receptor pair. Parameters ---------- ligand_pdb_filename: string path to ligand's pdb file. receptor_pdb_filename: string path to receptor pdb file. line_header: string line separator in PDB files """ # Load receptor and ligand from file. receptor = PDB() receptor.load_from_files(receptor_pdb_filename, line_header) receptor.assign_secondary_structure() ligand = PDB() ligand.load_from_files(ligand_pdb_filename, line_header) self.compute_input_vector(ligand, receptor)