def assemble(pdb_id):
struct = PDB(os.path.join(masif_opts['raw_pdb_dir'],
'{}.pdb'.format(pdb_id)),
header=True)
try:
struct_assembly = struct.apply_biomolecule_matrices()[0]
except:
return 0
struct_assembly.write(
os.path.join(masif_opts['ligand']['assembly_dir'],
'{}.pdb'.format(pdb_id)))
return 1
def assemble(pdb_id):
# Reads and builds the biological assembly of a structure
struct = PDB(os.path.join(masif_opts["raw_pdb_dir"],
"{}.pdb".format(pdb_id)),
header=True)
try:
struct_assembly = struct.apply_biomolecule_matrices()[0]
except:
return 0
struct_assembly.write(
os.path.join(masif_opts["ligand"]["assembly_dir"],
"{}.pdb".format(pdb_id)))
return 1