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)
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)
