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mmcif.ts 8.52 KiB
/**
* Copyright (c) 2017-2018 mol* contributors, licensed under MIT, See LICENSE file for more info.
*
* Code-generated 'mmCIF' schema file
*
* @author mol-star package (src/apps/schema-generator/generate)
*/
import { Database, Column } from 'mol-data/db'
import Schema = Column.Schema
const str = Schema.str;
const int = Schema.int;
const float = Schema.float;
const coord = Schema.coord;
const Aliased = Schema.Aliased;
const Matrix = Schema.Matrix;
const Vector = Schema.Vector;
const List = Schema.List;
export const mmCIF_Schema = {
atom_site: {
auth_asym_id: str,
auth_atom_id: str,
auth_comp_id: str,
auth_seq_id: int,
B_iso_or_equiv: float,
Cartn_x: coord,
Cartn_y: coord,
Cartn_z: coord,
group_PDB: Aliased<'ATOM' | 'HETATM'>(str),
id: int,
label_alt_id: str,
label_asym_id: str,
label_atom_id: str,
label_comp_id: str,
label_entity_id: str,
label_seq_id: int,
occupancy: float,
type_symbol: str,
pdbx_PDB_ins_code: str,
pdbx_PDB_model_num: int,
pdbx_formal_charge: int,
},
cell: {
angle_alpha: float,
angle_beta: float,
angle_gamma: float,
entry_id: str,
length_a: float,
length_b: float,
length_c: float,
Z_PDB: int,
pdbx_unique_axis: str,
},
chem_comp: {
formula: str,
formula_weight: float,
id: str,
mon_nstd_flag: Aliased<'no' | 'n' | 'yes' | 'y'>(str),
name: str,
type: Aliased<'D-peptide linking' | 'L-peptide linking' | 'D-peptide NH3 amino terminus' | 'L-peptide NH3 amino terminus' | 'D-peptide COOH carboxy terminus' | 'L-peptide COOH carboxy terminus' | 'DNA linking' | 'RNA linking' | 'L-RNA linking' | 'L-DNA linking' | 'DNA OH 5 prime terminus' | 'RNA OH 5 prime terminus' | 'DNA OH 3 prime terminus' | 'RNA OH 3 prime terminus' | 'D-saccharide 1,4 and 1,4 linking' | 'L-saccharide 1,4 and 1,4 linking' | 'D-saccharide 1,4 and 1,6 linking' | 'L-saccharide 1,4 and 1,6 linking' | 'L-saccharide' | 'D-saccharide' | 'saccharide' | 'non-polymer' | 'peptide linking' | 'peptide-like' | 'L-gamma-peptide, C-delta linking' | 'D-gamma-peptide, C-delta linking' | 'L-beta-peptide, C-gamma linking' | 'D-beta-peptide, C-gamma linking' | 'other'>(str),
pdbx_synonyms: str,
},
chem_comp_bond: {
atom_id_1: str,
atom_id_2: str,
comp_id: str, value_order: Aliased<'sing' | 'doub' | 'trip' | 'quad' | 'arom' | 'poly' | 'delo' | 'pi'>(str),
pdbx_ordinal: int,
pdbx_stereo_config: Aliased<'E' | 'Z' | 'N'>(str),
pdbx_aromatic_flag: Aliased<'Y' | 'N'>(str),
},
entity: {
details: str,
formula_weight: float,
id: str,
src_method: Aliased<'nat' | 'man' | 'syn'>(str),
type: Aliased<'polymer' | 'non-polymer' | 'macrolide' | 'water'>(str),
pdbx_description: str,
pdbx_number_of_molecules: float,
pdbx_mutation: str,
pdbx_fragment: str,
pdbx_ec: List(',', x => x),
},
entry: {
id: str,
},
exptl: {
entry_id: str,
method: Aliased<'X-RAY DIFFRACTION' | 'NEUTRON DIFFRACTION' | 'FIBER DIFFRACTION' | 'ELECTRON CRYSTALLOGRAPHY' | 'ELECTRON MICROSCOPY' | 'SOLUTION NMR' | 'SOLID-STATE NMR' | 'SOLUTION SCATTERING' | 'POWDER DIFFRACTION' | 'INFRARED SPECTROSCOPY' | 'EPR' | 'FLUORESCENCE TRANSFER' | 'THEORETICAL MODEL'>(str),
},
struct: {
entry_id: str,
title: str,
},
struct_conf: {
beg_label_asym_id: str,
beg_label_comp_id: str,
beg_label_seq_id: int,
beg_auth_asym_id: str,
beg_auth_comp_id: str,
beg_auth_seq_id: int,
conf_type_id: Aliased<'HELX_P' | 'HELX_OT_P' | 'HELX_RH_P' | 'HELX_RH_OT_P' | 'HELX_RH_AL_P' | 'HELX_RH_GA_P' | 'HELX_RH_OM_P' | 'HELX_RH_PI_P' | 'HELX_RH_27_P' | 'HELX_RH_3T_P' | 'HELX_RH_PP_P' | 'HELX_LH_P' | 'HELX_LH_OT_P' | 'HELX_LH_AL_P' | 'HELX_LH_GA_P' | 'HELX_LH_OM_P' | 'HELX_LH_PI_P' | 'HELX_LH_27_P' | 'HELX_LH_3T_P' | 'HELX_LH_PP_P' | 'HELX_N' | 'HELX_OT_N' | 'HELX_RH_N' | 'HELX_RH_OT_N' | 'HELX_RH_A_N' | 'HELX_RH_B_N' | 'HELX_RH_Z_N' | 'HELX_LH_N' | 'HELX_LH_OT_N' | 'HELX_LH_A_N' | 'HELX_LH_B_N' | 'HELX_LH_Z_N' | 'TURN_P' | 'TURN_OT_P' | 'TURN_TY1_P' | 'TURN_TY1P_P' | 'TURN_TY2_P' | 'TURN_TY2P_P' | 'TURN_TY3_P' | 'TURN_TY3P_P' | 'STRN'>(str),
details: str,
end_label_asym_id: str,
end_label_comp_id: str,
end_label_seq_id: int,
end_auth_asym_id: str,
end_auth_comp_id: str,
end_auth_seq_id: int,
id: str,
pdbx_beg_PDB_ins_code: str,
pdbx_end_PDB_ins_code: str,
pdbx_PDB_helix_class: str,
pdbx_PDB_helix_length: int,
pdbx_PDB_helix_id: str,
},
struct_conn: {
conn_type_id: Aliased<'covale' | 'disulf' | 'hydrog' | 'metalc' | 'mismat' | 'saltbr' | 'modres' | 'covale_base' | 'covale_sugar' | 'covale_phosphate'>(str),
details: str,
id: str,
ptnr1_label_asym_id: str,
ptnr1_label_atom_id: str,
ptnr1_label_comp_id: str,
ptnr1_label_seq_id: int,
ptnr1_auth_asym_id: str,
ptnr1_auth_comp_id: str,
ptnr1_auth_seq_id: int,
ptnr1_symmetry: str,
ptnr2_label_asym_id: str,
ptnr2_label_atom_id: str,
ptnr2_label_seq_id: int,
ptnr2_auth_asym_id: str,
ptnr2_auth_comp_id: str,
ptnr2_auth_seq_id: int,
ptnr2_symmetry: str,
pdbx_ptnr1_PDB_ins_code: str, pdbx_ptnr1_label_alt_id: str,
pdbx_ptnr1_standard_comp_id: str,
pdbx_ptnr2_PDB_ins_code: str,
pdbx_ptnr2_label_alt_id: str,
pdbx_ptnr3_PDB_ins_code: str,
pdbx_ptnr3_label_alt_id: str,
pdbx_ptnr3_label_asym_id: str,
pdbx_ptnr3_label_atom_id: str,
pdbx_ptnr3_label_comp_id: str,
pdbx_ptnr3_label_seq_id: int,
pdbx_PDB_id: str,
pdbx_dist_value: float,
pdbx_value_order: Aliased<'sing' | 'doub' | 'trip' | 'quad'>(str),
},
struct_conn_type: {
criteria: str,
id: Aliased<'covale' | 'disulf' | 'hydrog' | 'metalc' | 'mismat' | 'saltbr' | 'modres' | 'covale_base' | 'covale_sugar' | 'covale_phosphate'>(str),
reference: str,
},
struct_keywords: {
entry_id: str,
text: List(',', x => x),
pdbx_keywords: str,
},
struct_sheet_range: {
beg_label_asym_id: str,
beg_label_comp_id: str,
beg_label_seq_id: int,
end_label_asym_id: str,
end_label_comp_id: str,
end_label_seq_id: int,
beg_auth_asym_id: str,
beg_auth_comp_id: str,
beg_auth_seq_id: int,
end_auth_asym_id: str,
end_auth_comp_id: str,
end_auth_seq_id: int,
id: str,
sheet_id: str,
pdbx_beg_PDB_ins_code: str,
pdbx_end_PDB_ins_code: str,
},
symmetry: {
entry_id: str,
cell_setting: Aliased<'triclinic' | 'monoclinic' | 'orthorhombic' | 'tetragonal' | 'rhombohedral' | 'trigonal' | 'hexagonal' | 'cubic'>(str),
Int_Tables_number: int,
space_group_name_Hall: str,
'space_group_name_H-M': str,
},
pdbx_struct_assembly: {
method_details: str,
oligomeric_details: str,
oligomeric_count: int,
details: str,
id: str,
},
pdbx_struct_mod_residue: {
id: int,
auth_asym_id: str,
auth_comp_id: str,
auth_seq_id: int,
PDB_ins_code: str,
label_asym_id: str,
label_comp_id: str,
label_seq_id: int,
parent_comp_id: str,
details: str,
},
pdbx_struct_oper_list: {
id: str, type: Aliased<'identity operation' | 'point symmetry operation' | 'helical symmetry operation' | 'crystal symmetry operation' | '3D crystal symmetry operation' | '2D crystal symmetry operation' | 'transform to point frame' | 'transform to helical frame' | 'transform to crystal frame' | 'transform to 2D crystal frame' | 'transform to 3D crystal frame' | 'build point asymmetric unit' | 'build helical asymmetric unit' | 'build 2D crystal asymmetric unit' | 'build 3D crystal asymmetric unit'>(str),
name: str,
symmetry_operation: str,
matrix: Matrix(3, 3),
vector: Vector(3),
},
pdbx_struct_assembly_gen: {
asym_id_list: List(',', x => x),
assembly_id: str,
oper_expression: str,
},
}
export type mmCIF_Schema = typeof mmCIF_Schema;
export interface mmCIF_Database extends Database<mmCIF_Schema> {}