Python PDB.apply_biomolecule_matrices Exemples

Exemple #1

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

Exemple #2

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