boltz-vsynthes 1.0.0__py3-none-any.whl

boltz/data/const.py

@@ -0,0 +1,1184 @@
+####################################################################################################
+# CHAINS
+####################################################################################################
+
+chain_types = [
+    "PROTEIN",
+    "DNA",
+    "RNA",
+    "NONPOLYMER",
+]
+chain_type_ids = {chain: i for i, chain in enumerate(chain_types)}
+
+out_types = [
+    "dna_protein",
+    "rna_protein",
+    "ligand_protein",
+    "dna_ligand",
+    "rna_ligand",
+    "intra_ligand",
+    "intra_dna",
+    "intra_rna",
+    "intra_protein",
+    "protein_protein",
+    "modified",
+]
+
+out_types_weights_af3 = {
+    "dna_protein": 10.0,
+    "rna_protein": 10.0,
+    "ligand_protein": 10.0,
+    "dna_ligand": 5.0,
+    "rna_ligand": 5.0,
+    "intra_ligand": 20.0,
+    "intra_dna": 4.0,
+    "intra_rna": 16.0,
+    "intra_protein": 20.0,
+    "protein_protein": 20.0,
+    "modified": 0.0,
+}
+
+out_types_weights = {
+    "dna_protein": 5.0,
+    "rna_protein": 5.0,
+    "ligand_protein": 20.0,
+    "dna_ligand": 2.0,
+    "rna_ligand": 2.0,
+    "intra_ligand": 20.0,
+    "intra_dna": 2.0,
+    "intra_rna": 8.0,
+    "intra_protein": 20.0,
+    "protein_protein": 20.0,
+    "modified": 0.0,
+}
+
+
+out_single_types = ["protein", "ligand", "dna", "rna"]
+
+clash_types = [
+    "dna_protein",
+    "rna_protein",
+    "ligand_protein",
+    "protein_protein",
+    "dna_ligand",
+    "rna_ligand",
+    "ligand_ligand",
+    "rna_dna",
+    "dna_dna",
+    "rna_rna",
+]
+
+chain_types_to_clash_type = {
+    frozenset(("PROTEIN", "DNA")): "dna_protein",
+    frozenset(("PROTEIN", "RNA")): "rna_protein",
+    frozenset(("PROTEIN", "NONPOLYMER")): "ligand_protein",
+    frozenset(("PROTEIN",)): "protein_protein",
+    frozenset(("NONPOLYMER", "DNA")): "dna_ligand",
+    frozenset(("NONPOLYMER", "RNA")): "rna_ligand",
+    frozenset(("NONPOLYMER",)): "ligand_ligand",
+    frozenset(("DNA", "RNA")): "rna_dna",
+    frozenset(("DNA",)): "dna_dna",
+    frozenset(("RNA",)): "rna_rna",
+}
+
+chain_type_to_out_single_type = {
+    "PROTEIN": "protein",
+    "DNA": "dna",
+    "RNA": "rna",
+    "NONPOLYMER": "ligand",
+}
+####################################################################################################
+# RESIDUES & TOKENS
+####################################################################################################
+
+
+canonical_tokens = [
+    "ALA",
+    "ARG",
+    "ASN",
+    "ASP",
+    "CYS",
+    "GLN",
+    "GLU",
+    "GLY",
+    "HIS",
+    "ILE",
+    "LEU",
+    "LYS",
+    "MET",
+    "PHE",
+    "PRO",
+    "SER",
+    "THR",
+    "TRP",
+    "TYR",
+    "VAL",
+    "UNK",  # unknown protein token
+]
+
+tokens = [
+    "<pad>",
+    "-",
+    *canonical_tokens,
+    "A",
+    "G",
+    "C",
+    "U",
+    "N",  # unknown rna token
+    "DA",
+    "DG",
+    "DC",
+    "DT",
+    "DN",  # unknown dna token
+]
+
+token_ids = {token: i for i, token in enumerate(tokens)}
+num_tokens = len(tokens)
+unk_token = {"PROTEIN": "UNK", "DNA": "DN", "RNA": "N"}
+unk_token_ids = {m: token_ids[t] for m, t in unk_token.items()}
+
+prot_letter_to_token = {
+    "A": "ALA",
+    "R": "ARG",
+    "N": "ASN",
+    "D": "ASP",
+    "C": "CYS",
+    "E": "GLU",
+    "Q": "GLN",
+    "G": "GLY",
+    "H": "HIS",
+    "I": "ILE",
+    "L": "LEU",
+    "K": "LYS",
+    "M": "MET",
+    "F": "PHE",
+    "P": "PRO",
+    "S": "SER",
+    "T": "THR",
+    "W": "TRP",
+    "Y": "TYR",
+    "V": "VAL",
+    "X": "UNK",
+    "J": "UNK",
+    "B": "UNK",
+    "Z": "UNK",
+    "O": "UNK",
+    "U": "UNK",
+    "-": "-",
+}
+
+prot_token_to_letter = {v: k for k, v in prot_letter_to_token.items()}
+prot_token_to_letter["UNK"] = "X"
+
+rna_letter_to_token = {
+    "A": "A",
+    "G": "G",
+    "C": "C",
+    "U": "U",
+    "N": "N",
+}
+rna_token_to_letter = {v: k for k, v in rna_letter_to_token.items()}
+
+dna_letter_to_token = {
+    "A": "DA",
+    "G": "DG",
+    "C": "DC",
+    "T": "DT",
+    "N": "DN",
+}
+dna_token_to_letter = {v: k for k, v in dna_letter_to_token.items()}
+
+####################################################################################################
+# ATOMS
+####################################################################################################
+
+num_elements = 128
+
+chirality_types = [
+    "CHI_UNSPECIFIED",
+    "CHI_TETRAHEDRAL_CW",
+    "CHI_TETRAHEDRAL_CCW",
+    "CHI_SQUAREPLANAR",
+    "CHI_OCTAHEDRAL",
+    "CHI_TRIGONALBIPYRAMIDAL",
+    "CHI_OTHER",
+]
+chirality_type_ids = {chirality: i for i, chirality in enumerate(chirality_types)}
+unk_chirality_type = "CHI_OTHER"
+
+hybridization_map = [
+    "S",
+    "SP",
+    "SP2",
+    "SP2D",
+    "SP3",
+    "SP3D",
+    "SP3D2",
+    "OTHER",
+    "UNSPECIFIED",
+]
+hybridization_type_ids = {hybrid: i for i, hybrid in enumerate(hybridization_map)}
+unk_hybridization_type = "UNSPECIFIED"
+
+# fmt: off
+ref_atoms = {
+    "PAD": [],
+    "UNK": ["N", "CA", "C", "O", "CB"],
+    "-": [],
+    "ALA": ["N", "CA", "C", "O", "CB"],
+    "ARG": ["N", "CA", "C", "O", "CB", "CG", "CD", "NE", "CZ", "NH1", "NH2"],
+    "ASN": ["N", "CA", "C", "O", "CB", "CG", "OD1", "ND2"],
+    "ASP": ["N", "CA", "C", "O", "CB", "CG", "OD1", "OD2"],
+    "CYS": ["N", "CA", "C", "O", "CB", "SG"],
+    "GLN": ["N", "CA", "C", "O", "CB", "CG", "CD", "OE1", "NE2"],
+    "GLU": ["N", "CA", "C", "O", "CB", "CG", "CD", "OE1", "OE2"],
+    "GLY": ["N", "CA", "C", "O"],
+    "HIS": ["N", "CA", "C", "O", "CB", "CG", "ND1", "CD2", "CE1", "NE2"],
+    "ILE": ["N", "CA", "C", "O", "CB", "CG1", "CG2", "CD1"],
+    "LEU": ["N", "CA", "C", "O", "CB", "CG", "CD1", "CD2"],
+    "LYS": ["N", "CA", "C", "O", "CB", "CG", "CD", "CE", "NZ"],
+    "MET": ["N", "CA", "C", "O", "CB", "CG", "SD", "CE"],
+    "PHE": ["N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ"],
+    "PRO": ["N", "CA", "C", "O", "CB", "CG", "CD"],
+    "SER": ["N", "CA", "C", "O", "CB", "OG"],
+    "THR": ["N", "CA", "C", "O", "CB", "OG1", "CG2"],
+    "TRP": ["N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "NE1", "CE2", "CE3", "CZ2", "CZ3", "CH2"],  # noqa: E501
+    "TYR": ["N", "CA", "C", "O", "CB", "CG", "CD1", "CD2", "CE1", "CE2", "CZ", "OH"],
+    "VAL": ["N", "CA", "C", "O", "CB", "CG1", "CG2"],
+    "A": ["P", "OP1", "OP2", "O5'", "C5'", "C4'", "O4'", "C3'", "O3'", "C2'", "O2'", "C1'", "N9", "C8", "N7", "C5", "C6", "N6", "N1", "C2", "N3", "C4"],  # noqa: E501
+    "G": ["P", "OP1", "OP2", "O5'", "C5'", "C4'", "O4'", "C3'", "O3'", "C2'", "O2'", "C1'", "N9", "C8", "N7", "C5", "C6", "O6", "N1", "C2", "N2", "N3", "C4"],  # noqa: E501
+    "C": ["P", "OP1", "OP2", "O5'", "C5'", "C4'", "O4'", "C3'", "O3'", "C2'", "O2'", "C1'", "N1", "C2", "O2", "N3", "C4", "N4", "C5", "C6"],  # noqa: E501
+    "U": ["P", "OP1", "OP2", "O5'", "C5'", "C4'", "O4'", "C3'", "O3'", "C2'", "O2'", "C1'", "N1", "C2", "O2", "N3", "C4", "O4", "C5", "C6"],  # noqa: E501
+    "N": ["P", "OP1", "OP2", "O5'", "C5'", "C4'", "O4'", "C3'", "O3'", "C2'", "O2'", "C1'"],  # noqa: E501
+    "DA": ["P", "OP1", "OP2", "O5'", "C5'", "C4'", "O4'", "C3'", "O3'", "C2'", "C1'", "N9", "C8", "N7", "C5", "C6", "N6", "N1", "C2", "N3", "C4"],  # noqa: E501
+    "DG": ["P", "OP1", "OP2", "O5'", "C5'", "C4'", "O4'", "C3'", "O3'", "C2'", "C1'", "N9", "C8", "N7", "C5", "C6", "O6", "N1", "C2", "N2", "N3", "C4"],  # noqa: E501
+    "DC": ["P", "OP1", "OP2", "O5'", "C5'", "C4'", "O4'", "C3'", "O3'", "C2'", "C1'", "N1", "C2", "O2", "N3", "C4", "N4", "C5", "C6"],  # noqa: E501
+    "DT": ["P", "OP1", "OP2", "O5'", "C5'", "C4'", "O4'", "C3'", "O3'", "C2'", "C1'", "N1", "C2", "O2", "N3", "C4", "O4", "C5", "C7", "C6"],  # noqa: E501
+    "DN": ["P", "OP1", "OP2", "O5'", "C5'", "C4'", "O4'", "C3'", "O3'", "C2'", "C1'"]
+}
+
+protein_backbone_atom_names = ["N", "CA", "C", "O"]
+nucleic_backbone_atom_names = ["P", "OP1", "OP2", "O5'", "C5'", "C4'", "O4'", "C3'", "O3'", "C2'", "O2'", "C1'"]
+
+protein_backbone_atom_index = {name: i for i, name in enumerate(protein_backbone_atom_names)}
+nucleic_backbone_atom_index = {name: i for i, name in enumerate(nucleic_backbone_atom_names)}
+
+ref_symmetries = {
+    "PAD": [],
+    "ALA": [],
+    "ARG": [],
+    "ASN": [],
+    "ASP": [[(6, 7), (7, 6)]],
+    "CYS": [],
+    "GLN": [],
+    "GLU": [[(7, 8), (8, 7)]],
+    "GLY": [],
+    "HIS": [],
+    "ILE": [],
+    "LEU": [],
+    "LYS": [],
+    "MET": [],
+    "PHE": [[(6, 7), (7, 6), (8, 9), (9, 8)]],
+    "PRO": [],
+    "SER": [],
+    "THR": [],
+    "TRP": [],
+    "TYR": [[(6, 7), (7, 6), (8, 9), (9, 8)]],
+    "VAL": [],
+    "A": [[(1, 2), (2, 1)]],
+    "G": [[(1, 2), (2, 1)]],
+    "C": [[(1, 2), (2, 1)]],
+    "U": [[(1, 2), (2, 1)]],
+    #"N": [[(1, 2), (2, 1)]],
+    "DA": [[(1, 2), (2, 1)]],
+    "DG": [[(1, 2), (2, 1)]],
+    "DC": [[(1, 2), (2, 1)]],
+    "DT": [[(1, 2), (2, 1)]],
+    #"DN": [[(1, 2), (2, 1)]]
+}
+
+
+res_to_center_atom = {
+    "UNK": "CA",
+    "ALA": "CA",
+    "ARG": "CA",
+    "ASN": "CA",
+    "ASP": "CA",
+    "CYS": "CA",
+    "GLN": "CA",
+    "GLU": "CA",
+    "GLY": "CA",
+    "HIS": "CA",
+    "ILE": "CA",
+    "LEU": "CA",
+    "LYS": "CA",
+    "MET": "CA",
+    "PHE": "CA",
+    "PRO": "CA",
+    "SER": "CA",
+    "THR": "CA",
+    "TRP": "CA",
+    "TYR": "CA",
+    "VAL": "CA",
+    "A": "C1'",
+    "G": "C1'",
+    "C": "C1'",
+    "U": "C1'",
+    "N": "C1'",
+    "DA": "C1'",
+    "DG": "C1'",
+    "DC": "C1'",
+    "DT": "C1'",
+    "DN": "C1'"
+}
+
+res_to_disto_atom = {
+    "UNK": "CB",
+    "ALA": "CB",
+    "ARG": "CB",
+    "ASN": "CB",
+    "ASP": "CB",
+    "CYS": "CB",
+    "GLN": "CB",
+    "GLU": "CB",
+    "GLY": "CA",
+    "HIS": "CB",
+    "ILE": "CB",
+    "LEU": "CB",
+    "LYS": "CB",
+    "MET": "CB",
+    "PHE": "CB",
+    "PRO": "CB",
+    "SER": "CB",
+    "THR": "CB",
+    "TRP": "CB",
+    "TYR": "CB",
+    "VAL": "CB",
+    "A": "C4",
+    "G": "C4",
+    "C": "C2",
+    "U": "C2",
+    "N": "C1'",
+    "DA": "C4",
+    "DG": "C4",
+    "DC": "C2",
+    "DT": "C2",
+    "DN": "C1'"
+}
+
+res_to_center_atom_id = {
+    res: ref_atoms[res].index(atom)
+    for res, atom in res_to_center_atom.items()
+}
+
+res_to_disto_atom_id = {
+    res: ref_atoms[res].index(atom)
+    for res, atom in res_to_disto_atom.items()
+}
+
+# fmt: on
+
+####################################################################################################
+# BONDS
+####################################################################################################
+
+atom_interface_cutoff = 5.0
+interface_cutoff = 15.0
+
+bond_types = [
+    "OTHER",
+    "SINGLE",
+    "DOUBLE",
+    "TRIPLE",
+    "AROMATIC",
+    "COVALENT",
+]
+bond_type_ids = {bond: i for i, bond in enumerate(bond_types)}
+unk_bond_type = "OTHER"
+
+
+####################################################################################################
+# Contacts
+####################################################################################################
+
+
+pocket_contact_info = {
+    "UNSPECIFIED": 0,
+    "UNSELECTED": 1,
+    "POCKET": 2,
+    "BINDER": 3,
+}
+
+contact_conditioning_info = {
+    "UNSPECIFIED": 0,
+    "UNSELECTED": 1,
+    "POCKET>BINDER": 2,
+    "BINDER>POCKET": 3,
+    "CONTACT": 4,
+}
+
+
+####################################################################################################
+# MSA
+####################################################################################################
+
+max_msa_seqs = 16384
+max_paired_seqs = 8192
+
+
+####################################################################################################
+# CHUNKING
+####################################################################################################
+
+chunk_size_threshold = 384
+
+####################################################################################################
+# Method conditioning
+####################################################################################################
+
+# Methods
+method_types_ids = {
+    "MD": 0,
+    "X-RAY DIFFRACTION": 1,
+    "ELECTRON MICROSCOPY": 2,
+    "SOLUTION NMR": 3,
+    "SOLID-STATE NMR": 4,
+    "NEUTRON DIFFRACTION": 4,
+    "ELECTRON CRYSTALLOGRAPHY": 4,
+    "FIBER DIFFRACTION": 4,
+    "POWDER DIFFRACTION": 4,
+    "INFRARED SPECTROSCOPY": 4,
+    "FLUORESCENCE TRANSFER": 4,
+    "EPR": 4,
+    "THEORETICAL MODEL": 4,
+    "SOLUTION SCATTERING": 4,
+    "OTHER": 4,
+    "AFDB": 5,
+    "BOLTZ-1": 6,
+    "FUTURE1": 7,  # Placeholder for future supervision sources
+    "FUTURE2": 8,
+    "FUTURE3": 9,
+    "FUTURE4": 10,
+    "FUTURE5": 11,
+}
+method_types_ids = {k.lower(): v for k, v in method_types_ids.items()}
+num_method_types = len(set(method_types_ids.values()))
+
+# Temperature
+temperature_bins = [(265, 280), (280, 295), (295, 310)]
+temperature_bins_ids = {temp: i for i, temp in enumerate(temperature_bins)}
+temperature_bins_ids["other"] = len(temperature_bins)
+num_temp_bins = len(temperature_bins_ids)
+
+
+# pH
+ph_bins = [(0, 6), (6, 8), (8, 14)]
+ph_bins_ids = {ph: i for i, ph in enumerate(ph_bins)}
+ph_bins_ids["other"] = len(ph_bins)
+num_ph_bins = len(ph_bins_ids)
+
+####################################################################################################
+# VDW_RADII
+####################################################################################################
+
+# fmt: off
+vdw_radii = [
+    1.2, 1.4, 2.2, 1.9, 1.8, 1.7, 1.6, 1.55, 1.5, 1.54,
+    2.4, 2.2, 2.1, 2.1, 1.95, 1.8, 1.8, 1.88, 2.8, 2.4,
+    2.3, 2.15, 2.05, 2.05, 2.05, 2.05, 2.0, 2.0, 2.0, 2.1,
+    2.1, 2.1, 2.05, 1.9, 1.9, 2.02, 2.9, 2.55, 2.4, 2.3,
+    2.15, 2.1, 2.05, 2.05, 2.0, 2.05, 2.1, 2.2, 2.2, 2.25,
+    2.2, 2.1, 2.1, 2.16, 3.0, 2.7, 2.5, 2.48, 2.47, 2.45,
+    2.43, 2.42, 2.4, 2.38, 2.37, 2.35, 2.33, 2.32, 2.3, 2.28,
+    2.27, 2.25, 2.2, 2.1, 2.05, 2.0, 2.0, 2.05, 2.1, 2.05,
+    2.2, 2.3, 2.3, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.4,
+    2.0, 2.3, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0,
+    2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0,
+    2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0, 2.0
+]
+# fmt: on
+
+####################################################################################################
+# Excluded ligands
+####################################################################################################
+
+ligand_exclusion = {
+    "144",
+    "15P",
+    "1PE",
+    "2F2",
+    "2JC",
+    "3HR",
+    "3SY",
+    "7N5",
+    "7PE",
+    "9JE",
+    "AAE",
+    "ABA",
+    "ACE",
+    "ACN",
+    "ACT",
+    "ACY",
+    "AZI",
+    "BAM",
+    "BCN",
+    "BCT",
+    "BDN",
+    "BEN",
+    "BME",
+    "BO3",
+    "BTB",
+    "BTC",
+    "BU1",
+    "C8E",
+    "CAD",
+    "CAQ",
+    "CBM",
+    "CCN",
+    "CIT",
+    "CL",
+    "CLR",
+    "CM",
+    "CMO",
+    "CO3",
+    "CPT",
+    "CXS",
+    "D10",
+    "DEP",
+    "DIO",
+    "DMS",
+    "DN",
+    "DOD",
+    "DOX",
+    "EDO",
+    "EEE",
+    "EGL",
+    "EOH",
+    "EOX",
+    "EPE",
+    "ETF",
+    "FCY",
+    "FJO",
+    "FLC",
+    "FMT",
+    "FW5",
+    "GOL",
+    "GSH",
+    "GTT",
+    "GYF",
+    "HED",
+    "IHP",
+    "IHS",
+    "IMD",
+    "IOD",
+    "IPA",
+    "IPH",
+    "LDA",
+    "MB3",
+    "MEG",
+    "MES",
+    "MLA",
+    "MLI",
+    "MOH",
+    "MPD",
+    "MRD",
+    "MSE",
+    "MYR",
+    "N",
+    "NA",
+    "NH2",
+    "NH4",
+    "NHE",
+    "NO3",
+    "O4B",
+    "OHE",
+    "OLA",
+    "OLC",
+    "OMB",
+    "OME",
+    "OXA",
+    "P6G",
+    "PE3",
+    "PE4",
+    "PEG",
+    "PEO",
+    "PEP",
+    "PG0",
+    "PG4",
+    "PGE",
+    "PGR",
+    "PLM",
+    "PO4",
+    "POL",
+    "POP",
+    "PVO",
+    "SAR",
+    "SCN",
+    "SEO",
+    "SEP",
+    "SIN",
+    "SO4",
+    "SPD",
+    "SPM",
+    "SR",
+    "STE",
+    "STO",
+    "STU",
+    "TAR",
+    "TBU",
+    "TME",
+    "TPO",
+    "TRS",
+    "UNK",
+    "UNL",
+    "UNX",
+    "UPL",
+    "URE",
+}
+
+
+####################################################################################################
+# TEMPLATES
+####################################################################################################
+
+min_coverage_residues = 10
+min_coverage_fraction = 0.1
+
+
+####################################################################################################
+# Ambiguous atoms
+####################################################################################################
+
+ambiguous_atoms = {
+    "CA": {
+        "*": "C",
+        "OEX": "CA",
+        "OEC": "CA",
+        "543": "CA",
+        "OC6": "CA",
+        "OC1": "CA",
+        "OC7": "CA",
+        "OEY": "CA",
+        "OC4": "CA",
+        "OC3": "CA",
+        "ICA": "CA",
+        "CA": "CA",
+        "OC2": "CA",
+        "OC5": "CA",
+    },
+    "CD": {"*": "C", "CD": "CD", "CD3": "CD", "CD5": "CD", "CD1": "CD"},
+    "BR": "BR",
+    "CL": {
+        "*": "CL",
+        "C8P": "C",
+        "L3T": "C",
+        "TLC": "C",
+        "TZ0": "C",
+        "471": "C",
+        "NLK": "C",
+        "PGM": "C",
+        "PNE": "C",
+        "RCY": "C",
+        "11F": "C",
+        "PII": "C",
+        "C1Q": "C",
+        "4MD": "C",
+        "R5A": "C",
+        "KW2": "C",
+        "I7M": "C",
+        "R48": "C",
+        "FC3": "C",
+        "55V": "C",
+        "KPF": "C",
+        "SPZ": "C",
+        "0TT": "C",
+        "R9A": "C",
+        "5NA": "C",
+        "C55": "C",
+        "NIX": "C",
+        "5PM": "C",
+        "PP8": "C",
+        "544": "C",
+        "812": "C",
+        "NPM": "C",
+        "KU8": "C",
+        "A1AMM": "C",
+        "4S0": "C",
+        "AQC": "C",
+        "2JK": "C",
+        "WJR": "C",
+        "A1AAW": "C",
+        "85E": "C",
+        "MB0": "C",
+        "ZAB": "C",
+        "85K": "C",
+        "GBP": "C",
+        "A1H80": "C",
+        "A1AFR": "C",
+        "L9M": "C",
+        "MYK": "C",
+        "MB9": "C",
+        "38R": "C",
+        "EKB": "C",
+        "NKF": "C",
+        "UMQ": "C",
+        "T4K": "C",
+        "3PT": "C",
+        "A1A7S": "C",
+        "1Q9": "C",
+        "11R": "C",
+        "D2V": "C",
+        "SM8": "C",
+        "IFC": "C",
+        "DB5": "C",
+        "L2T": "C",
+        "GNB": "C",
+        "PP7": "C",
+        "072": "C",
+        "P88": "C",
+        "DRL": "C",
+        "C9W": "C",
+        "NTP": "C",
+        "4HJ": "C",
+        "7NA": "C",
+        "LPC": "C",
+        "T8W": "C",
+        "63R": "C",
+        "570": "C",
+        "R4A": "C",
+        "3BG": "C",
+        "4RB": "C",
+        "GSO": "C",
+        "BQ6": "C",
+        "R4P": "C",
+        "5CP": "C",
+        "TTR": "C",
+        "6UZ": "C",
+        "SPJ": "C",
+        "0SA": "C",
+        "ZL1": "C",
+        "BYG": "C",
+        "F0E": "C",
+        "PC0": "C",
+        "B2Q": "C",
+        "KV6": "C",
+        "NTO": "C",
+        "CLG": "C",
+        "R7U": "C",
+        "SMQ": "C",
+        "GM2": "C",
+        "Z7P": "C",
+        "NXF": "C",
+        "C6Q": "C",
+        "A1G": "C",
+        "433": "C",
+        "L9N": "C",
+        "7OX": "C",
+        "A1H84": "C",
+        "97L": "C",
+        "HDV": "C",
+        "LUO": "C",
+        "R6A": "C",
+        "1PC": "C",
+        "4PT": "C",
+        "SBZ": "C",
+        "EAB": "C",
+        "FL4": "C",
+        "OPS": "C",
+        "C2X": "C",
+        "SLL": "C",
+        "BFC": "C",
+        "GIP": "C",
+        "7CP": "C",
+        "CLH": "C",
+        "34E": "C",
+        "5NE": "C",
+        "PBF": "C",
+        "ABD": "C",
+        "ABC": "C",
+        "LPF": "C",
+        "TIZ": "C",
+        "4HH": "C",
+        "AFC": "C",
+        "WQH": "C",
+        "9JL": "C",
+        "CS3": "C",
+        "NL0": "C",
+        "KPY": "C",
+        "DNA": "C",
+        "B3C": "C",
+        "TKL": "C",
+        "KVS": "C",
+        "HO6": "C",
+        "NLH": "C",
+        "1PB": "C",
+        "CYF": "C",
+        "G4M": "C",
+        "R5B": "C",
+        "N4S": "C",
+        "N11": "C",
+        "C8F": "C",
+        "PIJ": "C",
+        "WIN": "C",
+        "NT1": "C",
+        "WJW": "C",
+        "HF7": "C",
+        "TY1": "C",
+        "VM1": "C",
+    },
+    "OS": {"*": "O", "DWC": "OS", "OHX": "OS", "OS": "OS", "8WV": "OS", "OS4": "OS"},
+    "PB": {"*": "P", "ZN9": "PB", "ZN7": "PB", "PBM": "PB", "PB": "PB", "CSB": "PB"},
+    "CE": {"*": "C", "CE": "CE"},
+    "FE": {"*": "FE", "TFR": "F", "PF5": "F", "IFC": "F", "F5C": "F"},
+    "NA": {"*": "N", "CGO": "NA", "R2K": "NA", "LVQ": "NA", "NA": "NA"},
+    "ND": {"*": "N", "ND": "ND"},
+    "CF": {"*": "C", "CF": "CF"},
+    "RU": "RU",
+    "BRAF": "BR",
+    "EU": "EU",
+    "CLAA": "CL",
+    "CLBQ": "CL",
+    "CM": {"*": "C", "ZCM": "CM"},
+    "SN": {"*": "SN", "TAP": "S", "SND": "S", "TAD": "S", "XPT": "S"},
+    "AG": "AG",
+    "CLN": "CL",
+    "CLM": "CL",
+    "CLA": {"*": "CL", "PII": "C", "TDL": "C", "D0J": "C", "GM2": "C", "PIJ": "C"},
+    "CLB": {
+        "*": "CL",
+        "TD5": "C",
+        "PII": "C",
+        "TDL": "C",
+        "GM2": "C",
+        "TD7": "C",
+        "TD6": "C",
+        "PIJ": "C",
+    },
+    "CR": {
+        "*": "C",
+        "BW9": "CR",
+        "CQ4": "CR",
+        "AC9": "CR",
+        "TIL": "CR",
+        "J7U": "CR",
+        "CR": "CR",
+    },
+    "CLAY": "CL",
+    "CLBC": "CL",
+    "PD": {
+        "*": "P",
+        "F6Q": "PD",
+        "SVP": "PD",
+        "SXC": "PD",
+        "U5U": "PD",
+        "PD": "PD",
+        "PLL": "PD",
+    },
+    "CO": {
+        "*": "C",
+        "J1S": "CO",
+        "OCN": "CO",
+        "OL3": "CO",
+        "OL4": "CO",
+        "B12": "CO",
+        "XCO": "CO",
+        "UFU": "CO",
+        "CON": "CO",
+        "OL5": "CO",
+        "B13": "CO",
+        "7KI": "CO",
+        "PL1": "CO",
+        "OCO": "CO",
+        "J1R": "CO",
+        "COH": "CO",
+        "SIR": "CO",
+        "6KI": "CO",
+        "NCO": "CO",
+        "9CO": "CO",
+        "PC3": "CO",
+        "BWU": "CO",
+        "B1Z": "CO",
+        "J83": "CO",
+        "CO": "CO",
+        "COY": "CO",
+        "CNC": "CO",
+        "3CO": "CO",
+        "OCL": "CO",
+        "R5Q": "CO",
+        "X5Z": "CO",
+        "CBY": "CO",
+        "OLS": "CO",
+        "F0X": "CO",
+        "I2A": "CO",
+        "OCM": "CO",
+    },
+    "CU": {
+        "*": "C",
+        "8ZR": "CU",
+        "K7E": "CU",
+        "CU3": "CU",
+        "SI9": "CU",
+        "35N": "CU",
+        "C2O": "CU",
+        "SI7": "CU",
+        "B15": "CU",
+        "SI0": "CU",
+        "CUP": "CU",
+        "SQ1": "CU",
+        "CUK": "CU",
+        "CUL": "CU",
+        "SI8": "CU",
+        "IC4": "CU",
+        "CUM": "CU",
+        "MM2": "CU",
+        "B30": "CU",
+        "S32": "CU",
+        "V79": "CU",
+        "IMF": "CU",
+        "CUN": "CU",
+        "MM1": "CU",
+        "MP1": "CU",
+        "IME": "CU",
+        "B17": "CU",
+        "C2C": "CU",
+        "1CU": "CU",
+        "CU6": "CU",
+        "C1O": "CU",
+        "CU1": "CU",
+        "B22": "CU",
+        "CUS": "CU",
+        "RUQ": "CU",
+        "CUF": "CU",
+        "CUA": "CU",
+        "CU": "CU",
+        "CUO": "CU",
+        "0TE": "CU",
+        "SI4": "CU",
+    },
+    "CS": {"*": "C", "CS": "CS"},
+    "CLQ": "CL",
+    "CLR": "CL",
+    "CLU": "CL",
+    "TE": "TE",
+    "NI": {
+        "*": "N",
+        "USN": "NI",
+        "NFO": "NI",
+        "NI2": "NI",
+        "NFS": "NI",
+        "NFR": "NI",
+        "82N": "NI",
+        "R5N": "NI",
+        "NFU": "NI",
+        "A1ICD": "NI",
+        "NI3": "NI",
+        "M43": "NI",
+        "MM5": "NI",
+        "BF8": "NI",
+        "TCN": "NI",
+        "NIK": "NI",
+        "CUV": "NI",
+        "MM6": "NI",
+        "J52": "NI",
+        "NI": "NI",
+        "SNF": "NI",
+        "XCC": "NI",
+        "F0L": "NI",
+        "UWE": "NI",
+        "NFC": "NI",
+        "3NI": "NI",
+        "HNI": "NI",
+        "F43": "NI",
+        "RQM": "NI",
+        "NFE": "NI",
+        "NFB": "NI",
+        "B51": "NI",
+        "NI1": "NI",
+        "WCC": "NI",
+        "NUF": "NI",
+    },
+    "SB": {"*": "S", "UJI": "SB", "SB": "SB", "118": "SB", "SBO": "SB", "3CG": "SB"},
+    "MO": "MO",
+    "SEG": "SE",
+    "CLL": "CL",
+    "CLAH": "CL",
+    "CLC": {
+        "*": "CL",
+        "TD5": "C",
+        "PII": "C",
+        "TDL": "C",
+        "GM2": "C",
+        "TD7": "C",
+        "TD6": "C",
+        "PIJ": "C",
+    },
+    "CLD": {"*": "CL", "PII": "C", "GM2": "C", "PIJ": "C"},
+    "CLAD": "CL",
+    "CLAE": "CL",
+    "LA": "LA",
+    "RH": "RH",
+    "BRAC": "BR",
+    "BRAD": "BR",
+    "CLBN": "CL",
+    "CLAC": "CL",
+    "BRAB": "BR",
+    "BRAE": "BR",
+    "MG": "MG",
+    "IR": "IR",
+    "SE": {
+        "*": "SE",
+        "HII": "S",
+        "NT2": "S",
+        "R2P": "S",
+        "S2P": "S",
+        "0IU": "S",
+        "QMB": "S",
+        "81S": "S",
+        "0QB": "S",
+        "UB4": "S",
+        "OHS": "S",
+        "Q78": "S",
+        "0Y2": "S",
+        "B3M": "S",
+        "NT1": "S",
+        "81R": "S",
+    },
+    "BRAG": "BR",
+    "CLF": {"*": "CL", "PII": "C", "GM2": "C", "PIJ": "C"},
+    "CLE": {"*": "CL", "PII": "C", "GM2": "C", "PIJ": "C"},
+    "BRAX": "BR",
+    "CLK": "CL",
+    "ZN": "ZN",
+    "AS": "AS",
+    "AU": "AU",
+    "PT": "PT",
+    "CLAS": "CL",
+    "MN": "MN",
+    "CLBE": "CL",
+    "CLBF": "CL",
+    "CLAF": "CL",
+    "NA'": {"*": "N", "CGO": "NA"},
+    "BRAH": "BR",
+    "BRAI": "BR",
+    "BRA": "BR",
+    "BRB": "BR",
+    "BRAV": "BR",
+    "HG": {
+        "*": "HG",
+        "BBA": "H",
+        "MID": "H",
+        "APM": "H",
+        "4QQ": "H",
+        "0ZG": "H",
+        "APH": "H",
+    },
+    "AR": "AR",
+    "D": "H",
+    "CLAN": "CL",
+    "SI": "SI",
+    "CLS": "CL",
+    "ZR": "ZR",
+    "CLAR": {"*": "CL", "ZM4": "C"},
+    "HO": "HO",
+    "CLI": {"*": "CL", "GM2": "C"},
+    "CLH": {"*": "CL", "GM2": "C"},
+    "CLAP": "CL",
+    "CLBL": "CL",
+    "CLBM": "CL",
+    "PR": {"*": "PR", "UF0": "P", "252": "P"},
+    "IN": "IN",
+    "CLJ": "CL",
+    "BRU": "BR",
+    "SC": {"*": "S", "SFL": "SC"},
+    "CLG": {"*": "CL", "GM2": "C"},
+    "BRAT": "BR",
+    "BRAR": "BR",
+    "CLAG": "CL",
+    "CLAB": "CL",
+    "CLV": "CL",
+    "TI": "TI",
+    "CLAX": "CL",
+    "CLAJ": "CL",
+    "CL'": {"*": "CL", "BNR": "C", "25A": "C", "BDA": "C"},
+    "CLAW": "CL",
+    "BRF": "BR",
+    "BRE": "BR",
+    "RE": "RE",
+    "GD": "GD",
+    "SM": {"*": "S", "SM": "SM"},
+    "CLBH": "CL",
+    "CLBI": "CL",
+    "CLAI": "CL",
+    "CLY": "CL",
+    "CLZ": "CL",
+    "AC": "AC",
+    "BR'": "BR",
+    "CLT": "CL",
+    "CLO": "CL",
+    "CLP": "CL",
+    "LU": "LU",
+    "BA": {"*": "B", "BA": "BA"},
+    "CLAU": "CL",
+    "RB": "RB",
+    "LI": "LI",
+    "MOM": "MO",
+    "BRAQ": "BR",
+    "SR": {"*": "S", "SR": "SR", "OER": "SR"},
+    "CLAT": "CL",
+    "BRAL": "BR",
+    "SEB": "SE",
+    "CLW": "CL",
+    "CLX": "CL",
+    "BE": "BE",
+    "BRG": "BR",
+    "SEA": "SE",
+    "BRAW": "BR",
+    "BRBB": "BR",
+    "ER": "ER",
+    "TH": "TH",
+    "BRR": "BR",
+    "CLBV": "CL",
+    "AL": "AL",
+    "CLAV": "CL",
+    "BRH": "BR",
+    "CLAQ": "CL",
+    "GA": "GA",
+    "X": "*",
+    "TL": "TL",
+    "CLBB": "CL",
+    "TB": "TB",
+    "CLAK": "CL",
+    "XE": {"*": "*", "XE": "XE"},
+    "SEL": "SE",
+    "PU": {"*": "P", "4PU": "PU"},
+    "CLAZ": "CL",
+    "SE'": "SE",
+    "CLBA": "CL",
+    "SEN": "SE",
+    "SNN": "SN",
+    "MOB": "MO",
+    "YB": "YB",
+    "BRC": "BR",
+    "BRD": "BR",
+    "CLAM": "CL",
+    "DA": "H",
+    "DB": "H",
+    "DC": "H",
+    "DXT": "H",
+    "DXU": "H",
+    "DXX": "H",
+    "DXY": "H",
+    "DXZ": "H",
+    "DY": "DY",
+    "TA": "TA",
+    "XD": "*",
+    "SED": "SE",
+    "CLAL": "CL",
+    "BRAJ": "BR",
+    "AM": "AM",
+    "CLAO": "CL",
+    "BI": "BI",
+    "KR": "KR",
+    "BRBJ": "BR",
+    "UNK": "*",
+}