/* eslint-disable array-bracket-spacing, no-multi-spaces, indent */ export type Ring = 'purine'|'pyrimidine'; export const ReferenceCompounds: Record<string, [string, string]> = { AA00: [ 'A', 'G'], AA01: ['DC', 'DG'], AA02: ['DA', 'DA'], AA03: [ 'U', 'C'], AA04: [ 'A', 'G'], AA05: [ 'A', 'G'], AA06: [ 'U', 'G'], AA07: [ 'U', 'A'], AA08: [ 'G', 'C'], AA09: [ 'A', 'A'], AA10: [ 'A', 'G'], AA11: [ 'A', 'A'], AA12: [ 'U', 'G'], AA13: [ 'G', 'U'], AB01: ['DC', 'DG'], AB02: ['DG', 'DG'], AB03: ['DC', 'DA'], AB04: ['DT', 'DA'], AB05: [ 'G', 'U'], BA01: ['DA', 'DT'], BA05: ['DA', 'DC'], BA09: ['DG', 'DG'], BA08: ['DC', 'DG'], BA10: ['DA', 'DG'], BA13: ['DG', 'DA'], BA16: [ 'U', 'U'], BA17: ['DC', 'DT'], BB00: ['DG', 'DA'], BB01: ['DA', 'DA'], BB17: ['DC', 'DC'], BB02: ['DA', 'DC'], BB03: ['DA', 'DG'], BB11: ['DT', 'DT'], BB16: ['DC', 'DG'], BB04: ['DC', 'DG'], BB05: ['DA', 'DC'], BB07: ['DC', 'DG'], BB08: ['DC', 'DG'], BB10: ['DG', 'DG'], BB12: ['DG', 'DA'], BB13: ['DA', 'DC'], BB14: ['DC', 'DA'], BB15: ['DG', 'DC'], BB20: ['DT', 'DT'], IC01: [ 'C', 'C'], IC02: [ 'U', 'U'], IC03: [ 'G', 'A'], IC04: ['DC', 'DG'], IC05: ['DC', 'DG'], IC06: ['DC', 'DG'], IC07: [ 'G', 'U'], OP01: [ 'C', 'A'], OP02: [ 'G', 'U'], OP03: [ 'G', 'A'], OP04: [ 'G', 'A'], OP05: [ 'G', 'U'], OP06: [ 'U', 'U'], OP07: [ 'G', 'C'], OP08: [ 'G', 'A'], OP09: [ 'U', 'U'], OP10: [ 'G', 'A'], OP11: [ 'A', 'G'], OP12: [ 'U', 'C'], OP13: [ 'U', 'G'], OP14: [ 'A', 'G'], OP15: [ 'G', 'U'], OP16: [ 'G', 'G'], OP17: [ 'G', 'U'], OP18: [ 'U', 'U'], OP19: ['DG', 'DT'], OP20: ['DA', 'DC'], OP21: [ 'U', 'U'], OP22: ['DU', 'DU'], OP23: [ 'A', 'G'], OP24: [ 'A', 'A'], OP25: [ 'A', 'U'], OP26: [ 'U', 'C'], OP27: [ 'C', 'G'], OP28: [ 'G', 'U'], OP29: [ 'A', 'U'], OP30: [ 'C', 'G'], OP31: [ 'A', 'G'], OPS1: [ 'U', 'C'], OP1S: ['DT', 'DG'], AAS1: [ 'C', 'A'], AB1S: ['DA', 'DG'], AB2S: [ 'G', 'G'], BB1S: ['DG', 'DG'], BB2S: ['DG', 'DG'], BBS1: ['DG', 'DG'], ZZ01: [ 'U', 'C'], ZZ02: [ 'A', 'C'], ZZ1S: ['DC', 'DG'], ZZ2S: ['DC', 'DG'], ZZS1: ['DG', 'DC'], ZZS2: ['DG', 'DC'], }; export type ReferenceCompounds = typeof ReferenceCompounds; export const CompoundRings: Record<string, Ring> = { '0AD': 'purine', '0AV': 'purine', '0SP': 'purine', '0UH': 'purine', '12A': 'purine', '18M': 'purine', '1AP': 'purine', '1MA': 'purine', '1MG': 'purine', '2BU': 'purine', '2EG': 'purine', '2MA': 'purine', '2MG': 'purine', '2PR': 'purine', '6FK': 'purine', '6HA': 'purine', '6HB': 'purine', '6HG': 'purine', '6IA': 'purine', '6MA': 'purine', '6MC': 'purine', '6MT': 'purine', '6OG': 'purine', '6PO': 'purine', '7AT': 'purine', '7BG': 'purine', '7DA': 'purine', '7GU': 'purine', '7MG': 'purine', '8AA': 'purine', '8BA': 'purine', '8FG': 'purine', '8MG': 'purine', '8OG': 'purine', '8PY': 'purine', 'A': 'purine', 'A23': 'purine', 'A2L': 'purine', 'A2M': 'purine', 'A44': 'purine', 'A5L': 'purine', 'A5O': 'purine', 'A6A': 'purine', 'A6G': 'purine', 'A7E': 'purine', 'A9Z': 'purine', 'ABR': 'purine', 'ABS': 'purine', 'AET': 'purine', 'AF2': 'purine', 'AFG': 'purine', 'AP7': 'purine', 'ATP': 'purine', 'AVC': 'purine', 'B8K': 'purine', 'B8W': 'purine', 'B9B': 'purine', 'BGH': 'purine', 'BGM': 'purine', 'C6G': 'purine', 'CG1': 'purine', 'DA': 'purine', 'DCG': 'purine', 'DFG': 'purine', 'DG': 'purine', 'DZM': 'purine', 'E': 'purine', 'E1X': 'purine', 'E6G': 'purine', 'E7G': 'purine', 'EDA': 'purine', 'EHG': 'purine', 'F74': 'purine', 'FDG': 'purine', 'FMG': 'purine', 'G25': 'purine', 'G2L': 'purine', 'G48': 'purine', 'G7M': 'purine', 'GAO': 'purine', 'GF2': 'purine', 'GMS': 'purine', 'GOM': 'purine', 'GRB': 'purine', 'GSR': 'purine', 'GSS': 'purine', 'GX1': 'purine', 'HN0': 'purine', 'HN1': 'purine', 'IG': 'purine', 'IGU': 'purine', 'KAG': 'purine', 'LCG': 'purine', 'LG': 'purine', 'LGP': 'purine', 'M1G': 'purine', 'M2G': 'purine', 'M7A': 'purine', 'MA6': 'purine', 'MA7': 'purine', 'MAD': 'purine', 'MFO': 'purine', 'MG1': 'purine', 'MGV': 'purine', 'MHG': 'purine', 'MIA': 'purine', 'MRG': 'purine', 'MTU': 'purine', 'N6G': 'purine', 'O2G': 'purine', 'OGX': 'purine', 'OMG': 'purine', 'P5P': 'purine', 'P7G': 'purine', 'PG7': 'purine', 'PGN': 'purine', 'PGP': 'purine', 'PPW': 'purine', 'PR5': 'purine', 'PRN': 'purine', 'QUO': 'purine', 'R': 'purine', 'RDG': 'purine', 'RIA': 'purine', 'S6G': 'purine', 'SDH': 'purine', 'T6A': 'purine', 'V3L': 'purine', 'X': 'purine', 'XPB': 'purine', 'XUA': 'purine', 'XUG': 'purine', 'YG': 'purine', 'YYG': 'purine', 'AD2': 'purine', 'A3P': 'purine', 'DDG': 'purine', 'GDP': 'purine', 'GFL': 'purine', 'G': 'purine', 'GNE': 'purine', 'GTP': 'purine', 'TGP': 'purine', '2FI': 'purine', '2DA': 'purine', 'DI': 'purine', '0AP': 'pyrimidine', '0AU': 'pyrimidine', '125': 'pyrimidine', '126': 'pyrimidine', '127': 'pyrimidine', '18Q': 'pyrimidine', '1CC': 'pyrimidine', '1FC': 'pyrimidine', '1RN': 'pyrimidine', '2AT': 'pyrimidine', '2AU': 'pyrimidine', '2BT': 'pyrimidine', '2GT': 'pyrimidine', '2MU': 'pyrimidine', '2NT': 'pyrimidine', '2OM': 'pyrimidine', '2OT': 'pyrimidine', '2ST': 'pyrimidine', '3AU': 'pyrimidine', '3ME': 'pyrimidine', '3MU': 'pyrimidine', '47C': 'pyrimidine', '4OC': 'pyrimidine', '4PC': 'pyrimidine', '4PD': 'pyrimidine', '4PE': 'pyrimidine', '4SU': 'pyrimidine', '4U3': 'pyrimidine', '5BU': 'pyrimidine', '5CM': 'pyrimidine', '5FC': 'pyrimidine', '5HC': 'pyrimidine', '5HM': 'pyrimidine', '5HU': 'pyrimidine', '5IC': 'pyrimidine', '5IT': 'pyrimidine', '5IU': 'pyrimidine', '5MC': 'pyrimidine', '5MU': 'pyrimidine', '5NC': 'pyrimidine', '5PC': 'pyrimidine', '5PY': 'pyrimidine', '5SE': 'pyrimidine', '64T': 'pyrimidine', '6HC': 'pyrimidine', '6HT': 'pyrimidine', '70U': 'pyrimidine', '75B': 'pyrimidine', '77Y': 'pyrimidine', '85Y': 'pyrimidine', '8DT': 'pyrimidine', '8RO': 'pyrimidine', '94O': 'pyrimidine', '9QV': 'pyrimidine', 'A5M': 'pyrimidine', 'A6C': 'pyrimidine', 'A6U': 'pyrimidine', 'ATD': 'pyrimidine', 'ATL': 'pyrimidine', 'B7C': 'pyrimidine', 'B8Q': 'pyrimidine', 'B8T': 'pyrimidine', 'B9H': 'pyrimidine', 'BOE': 'pyrimidine', 'BRU': 'pyrimidine', 'C25': 'pyrimidine', 'C2L': 'pyrimidine', 'C34': 'pyrimidine', 'C43': 'pyrimidine', 'C5L': 'pyrimidine', 'CAR': 'pyrimidine', 'CB2': 'pyrimidine', 'CBR': 'pyrimidine', 'CCC': 'pyrimidine', 'CDW': 'pyrimidine', 'CH': 'pyrimidine', 'CTG': 'pyrimidine', 'D00': 'pyrimidine', 'DC': 'pyrimidine', 'DDN': 'pyrimidine', 'DFC': 'pyrimidine', 'DHU': 'pyrimidine', 'DNR': 'pyrimidine', 'DRT': 'pyrimidine', 'DT': 'pyrimidine', 'DU': 'pyrimidine', 'DUZ': 'pyrimidine', 'E3C': 'pyrimidine', 'EIT': 'pyrimidine', 'F3H': 'pyrimidine', 'GMU': 'pyrimidine', 'H2U': 'pyrimidine', 'HEU': 'pyrimidine', 'I4U': 'pyrimidine', 'I5C': 'pyrimidine', 'IC': 'pyrimidine', 'IMC': 'pyrimidine', 'IU': 'pyrimidine', 'JDT': 'pyrimidine', 'JMH': 'pyrimidine', 'LC': 'pyrimidine', 'LHU': 'pyrimidine', 'LSH': 'pyrimidine', 'LST': 'pyrimidine', 'M5M': 'pyrimidine', 'MNU': 'pyrimidine', 'N5M': 'pyrimidine', 'NCU': 'pyrimidine', 'NDU': 'pyrimidine', 'NMS': 'pyrimidine', 'NMT': 'pyrimidine', 'NTT': 'pyrimidine', 'OHU': 'pyrimidine', 'OMC': 'pyrimidine', 'OMU': 'pyrimidine', 'ONE': 'pyrimidine', 'P2T': 'pyrimidine', 'P4U': 'pyrimidine', 'PDU': 'pyrimidine', 'PST': 'pyrimidine', 'PYO': 'pyrimidine', 'RPC': 'pyrimidine', 'RSQ': 'pyrimidine', 'S2M': 'pyrimidine', 'S4U': 'pyrimidine', 'SMT': 'pyrimidine', 'SUR': 'pyrimidine', 'T39': 'pyrimidine', 'T3P': 'pyrimidine', 'T4S': 'pyrimidine', 'T5O': 'pyrimidine', 'T5S': 'pyrimidine', 'TA3': 'pyrimidine', 'TAF': 'pyrimidine', 'TC1': 'pyrimidine', 'TDY': 'pyrimidine', 'TED': 'pyrimidine', 'TFE': 'pyrimidine', 'TLC': 'pyrimidine', 'TLN': 'pyrimidine', 'TTM': 'pyrimidine', 'U25': 'pyrimidine', 'U2L': 'pyrimidine', 'U2N': 'pyrimidine', 'U36': 'pyrimidine', 'U8U': 'pyrimidine', 'UAR': 'pyrimidine', 'UBI': 'pyrimidine', 'UBR': 'pyrimidine', 'UD5': 'pyrimidine', 'UFT': 'pyrimidine', 'UMS': 'pyrimidine', 'UMX': 'pyrimidine', 'UPE': 'pyrimidine', 'UPV': 'pyrimidine', 'UR3': 'pyrimidine', 'URX': 'pyrimidine', 'US3': 'pyrimidine', 'USM': 'pyrimidine', 'UVX': 'pyrimidine', 'XCY': 'pyrimidine', 'YCO': 'pyrimidine', 'Z': 'pyrimidine', 'ZDU': 'pyrimidine', 'CFL': 'pyrimidine', 'C': 'pyrimidine', 'C38': 'pyrimidine', 'DOC': 'pyrimidine', 'F2T': 'pyrimidine', 'ME6': 'pyrimidine', 'SPT': 'pyrimidine', 'T': 'pyrimidine', 'TPC': 'pyrimidine', 'TCP': 'pyrimidine', 'U': 'pyrimidine', 'UMP': 'pyrimidine', '2DT': 'pyrimidine', 'CFZ': 'pyrimidine' }; export type CompoundRings = typeof CompoundRings; export const BackboneAtoms = { first: ["C5'", "C4'", "O4'", "C3'", "O3'", "C1'"], /* eslint-disable @typescript-eslint/quotes */ second: ["P", "O5'", "C5'", "C4'", "O4'", "C3'", "O3'", "C1'"], purine: ['N9', 'C4'], pyrimidine: ['N1', 'C2'], };