Molconn-Z 4.00 Manual: Toolkit Programmers Guide: Atom Type ID Definitions

Molconn-Z Toolkit Programmers Guide: Atom Type ID Definitions

Atom Type Limits

MOLCONNZ_ATOM_TYPES131
MOLCONNZ_HATOM_TYPES 20

Atom Type ID Definitions

ESLC_MCON_TYPE_Du ESLC_TAFF_TYPE_Du 0
ESLC_MCON_TYPE_HsOH ESLC_TAFF_TYPE_H_o 1
ESLC_MCON_TYPE_HdNH ESLC_TAFF_TYPE_H_n 2
ESLC_MCON_TYPE_HsSH ESLC_TAFF_TYPE_H_s 3
ESLC_MCON_TYPE_HsNH2 ESLC_TAFF_TYPE_4 4
ESLC_MCON_TYPE_HssNH ESLC_TAFF_TYPE_5 5
ESLC_MCON_TYPE_HaaNH ESLC_TAFF_TYPE_6 6
ESLC_MCON_TYPE_HsNH3p ESLC_TAFF_TYPE_7 7
ESLC_MCON_TYPE_HssNH2p ESLC_TAFF_TYPE_8 8
ESLC_MCON_TYPE_HsssNHp ESLC_TAFF_TYPE_9 9
ESLC_MCON_TYPE_HtCH ESLC_TAFF_TYPE_H 10
ESLC_MCON_TYPE_HdCH2ESLC_TAFF_TYPE_11 11
ESLC_MCON_TYPE_HdsCHESLC_TAFF_TYPE_H_ar 12
ESLC_MCON_TYPE_HaaCHESLC_TAFF_TYPE_13 13
ESLC_MCON_TYPE_HCHnX ESLC_TAFF_TYPE_14 14
ESLC_MCON_TYPE_HCsatsESLC_TAFF_TYPE_15 15
ESLC_MCON_TYPE_HCsatuESLC_TAFF_TYPE_16 16
ESLC_MCON_TYPE_HAvinESLC_TAFF_TYPE_17 17
ESLC_MCON_TYPE_18 ESLC_TAFF_TYPE_H_p 18
ESLC_MCON_TYPE_Hother ESLC_TAFF_TYPE_19 19
ESLC_MCON_TYPE_Hmisc ESLC_TAFF_TYPE_20 10
ESLC_MCON_TYPE_21ESLC_TAFF_TYPE_H_unk 21
ESLC_MCON_TYPE_sLi ESLC_TAFF_TYPE_Li 22
ESLC_MCON_TYPE_ssBe ESLC_TAFF_TYPE_23 23
ESLC_MCON_TYPE_ssssBemESLC_TAFF_TYPE_24 24
ESLC_MCON_TYPE_sBH2ESLC_TAFF_TYPE_25 25
ESLC_MCON_TYPE_ssBH ESLC_TAFF_TYPE_26 26
ESLC_MCON_TYPE_sssB ESLC_TAFF_TYPE_27 27
ESLC_MCON_TYPE_ssssBm ESLC_TAFF_TYPE_28 28
ESLC_MCON_TYPE_29ESLC_TAFF_TYPE_29 29
ESLC_MCON_TYPE_30ESLC_TAFF_TYPE_30 30
ESLC_MCON_TYPE_31ESLC_TAFF_TYPE_31 31
ESLC_MCON_TYPE_sCH3 ESLC_TAFF_TYPE_C_3_h3 32
ESLC_MCON_TYPE_dCH2 ESLC_TAFF_TYPE_C_2_h2 33
ESLC_MCON_TYPE_ssCH2 ESLC_TAFF_TYPE_C_3_h2 34
ESLC_MCON_TYPE_tCH ESLC_TAFF_TYPE_C_1_h1 35
ESLC_MCON_TYPE_dsCH ESLC_TAFF_TYPE_C_2_h1 36
ESLC_MCON_TYPE_aaCH ESLC_TAFF_TYPE_C_ar_h1 37
ESLC_MCON_TYPE_sssCH ESLC_TAFF_TYPE_C_3_h1 38
ESLC_MCON_TYPE_ddC ESLC_TAFF_TYPE_39 39
ESLC_MCON_TYPE_tsC ESLC_TAFF_TYPE_C_1 40
ESLC_MCON_TYPE_dssC ESLC_TAFF_TYPE_C_2 41
ESLC_MCON_TYPE_aasC ESLC_TAFF_TYPE_C_ar 42
ESLC_MCON_TYPE_aaaC ESLC_TAFF_TYPE_43 43
ESLC_MCON_TYPE_ssssC ESLC_TAFF_TYPE_C_3 44
ESLC_MCON_TYPE_45ESLC_TAFF_TYPE_C_co 45
ESLC_MCON_TYPE_46ESLC_TAFF_TYPE_C_co_h1 46
ESLC_MCON_TYPE_47ESLC_TAFF_TYPE_C_cat 47
ESLC_MCON_TYPE_48ESLC_TAFF_TYPE_C_unk 48
ESLC_MCON_TYPE_49ESLC_TAFF_TYPE_49 49
ESLC_MCON_TYPE_50ESLC_TAFF_TYPE_50 50
ESLC_MCON_TYPE_51ESLC_TAFF_TYPE_51 51
ESLC_MCON_TYPE_sNH3p ESLC_TAFF_TYPE_N_4_h3 52
ESLC_MCON_TYPE_sNH2 ESLC_TAFF_TYPE_N_3_h2 53
ESLC_MCON_TYPE_ssNH2p ESLC_TAFF_TYPE_N_4_h2 54
ESLC_MCON_TYPE_dNH ESLC_TAFF_TYPE_N_2_h1 55
ESLC_MCON_TYPE_ssNH ESLC_TAFF_TYPE_N_3_h1 56
ESLC_MCON_TYPE_aaNH ESLC_TAFF_TYPE_N_ar_h1 57
ESLC_MCON_TYPE_tN ESLC_TAFF_TYPE_N_1 58
ESLC_MCON_TYPE_sssNHp ESLC_TAFF_TYPE_N_4_h1 59
ESLC_MCON_TYPE_dsN ESLC_TAFF_TYPE_N_2 60
ESLC_MCON_TYPE_aaN ESLC_TAFF_TYPE_N_ar 61
ESLC_MCON_TYPE_sssN ESLC_TAFF_TYPE_N_3 62
ESLC_MCON_TYPE_ddsN ESLC_TAFF_TYPE_N_pl3 63
ESLC_MCON_TYPE_aasN ESLC_TAFF_TYPE_64 64
ESLC_MCON_TYPE_ssssNp ESLC_TAFF_TYPE_N_4 65
ESLC_MCON_TYPE_66ESLC_TAFF_TYPE_N_am 66
ESLC_MCON_TYPE_67ESLC_TAFF_TYPE_N_am_h1 67
ESLC_MCON_TYPE_68ESLC_TAFF_TYPE_N_pl3_h2 68
ESLC_MCON_TYPE_69ESLC_TAFF_TYPE_N_his 69
ESLC_MCON_TYPE_70ESLC_TAFF_TYPE_N_his_h1 70
ESLC_MCON_TYPE_71ESLC_TAFF_TYPE_N_unk 71
ESLC_MCON_TYPE_72ESLC_TAFF_TYPE_72 72
ESLC_MCON_TYPE_sOH ESLC_TAFF_TYPE_O_3_h1 73
ESLC_MCON_TYPE_dO ESLC_TAFF_TYPE_O_2 74
ESLC_MCON_TYPE_ssO ESLC_TAFF_TYPE_O_3 75
ESLC_MCON_TYPE_aaO ESLC_TAFF_TYPE_O_ar 76
ESLC_MCON_TYPE_aOm ESLC_TAFF_TYPE_O_co2 77
ESLC_MCON_TYPE_sOm ESLC_TAFF_TYPE_O_m 78
ESLC_MCON_TYPE_79 ESLC_TAFF_TYPE_O_ce 79
ESLC_MCON_TYPE_80 ESLC_TAFF_TYPE_O_3_h2 80
ESLC_MCON_TYPE_81ESLC_TAFF_TYPE_O_unk 81
ESLC_MCON_TYPE_sFESLC_TAFF_TYPE_F 82
ESLC_MCON_TYPE_83ESLC_TAFF_TYPE_F_cf3 83
ESLC_MCON_TYPE_sSiH3 ESLC_TAFF_TYPE_Si_h3 84
ESLC_MCON_TYPE_ssSiH2 ESLC_TAFF_TYPE_Si_h2 85
ESLC_MCON_TYPE_sssSiH ESLC_TAFF_TYPE_Si_h1 86
ESLC_MCON_TYPE_ssssSi ESLC_TAFF_TYPE_Si 87
ESLC_MCON_TYPE_sPH2 ESLC_TAFF_TYPE_P_3_h2 88
ESLC_MCON_TYPE_ssPH ESLC_TAFF_TYPE_P_3_h1 89
ESLC_MCON_TYPE_sssP ESLC_TAFF_TYPE_P_3 90
ESLC_MCON_TYPE_dsssP ESLC_TAFF_TYPE_P_o 91
ESLC_MCON_TYPE_ddsP ESLC_TAFF_TYPE_P_o2 92
ESLC_MCON_TYPE_sssssP ESLC_TAFF_TYPE_P 93
ESLC_MCON_TYPE_94ESLC_TAFF_TYPE_94 94
ESLC_MCON_TYPE_sSH ESLC_TAFF_TYPE_S_3_h1 95
ESLC_MCON_TYPE_dS ESLC_TAFF_TYPE_S_2 96
ESLC_MCON_TYPE_ssS ESLC_TAFF_TYPE_S_3 97
ESLC_MCON_TYPE_aaS ESLC_TAFF_TYPE_S_ar 98
ESLC_MCON_TYPE_dssS ESLC_TAFF_TYPE_S_o 99
ESLC_MCON_TYPE_ddssS ESLC_TAFF_TYPE_S_o2 100
ESLC_MCON_TYPE_ssssssS ESLC_TAFF_TYPE_S 101
ESLC_MCON_TYPE_102ESLC_TAFF_TYPE_S_s102
ESLC_MCON_TYPE_103ESLC_TAFF_TYPE_S_s_h1 103
ESLC_MCON_TYPE_sSm ESLC_TAFF_TYPE_S_m 104
ESLC_MCON_TYPE_105ESLC_TAFF_TYPE_S_unk 105
ESLC_MCON_TYPE_sCl ESLC_TAFF_TYPE_Cl 106
ESLC_MCON_TYPE_sGeH3 ESLC_TAFF_TYPE_107 107
ESLC_MCON_TYPE_ssGeH2 ESLC_TAFF_TYPE_108 108
ESLC_MCON_TYPE_sssGeH ESLC_TAFF_TYPE_109 109
ESLC_MCON_TYPE_ssssGe ESLC_TAFF_TYPE_110 110
ESLC_MCON_TYPE_sAsH2 ESLC_TAFF_TYPE_111 111
ESLC_MCON_TYPE_ssAsH ESLC_TAFF_TYPE_112 112
ESLC_MCON_TYPE_sssAs ESLC_TAFF_TYPE_113 113
ESLC_MCON_TYPE_dsssAs ESLC_TAFF_TYPE_114 114
ESLC_MCON_TYPE_ddsAs ESLC_TAFF_TYPE_115 115
ESLC_MCON_TYPE_sssssAs ESLC_TAFF_TYPE_116 116
ESLC_MCON_TYPE_sSeH ESLC_TAFF_TYPE_117 117
ESLC_MCON_TYPE_dSe ESLC_TAFF_TYPE_118 118
ESLC_MCON_TYPE_ssSe ESLC_TAFF_TYPE_119 119
ESLC_MCON_TYPE_aaSe ESLC_TAFF_TYPE_120 120
ESLC_MCON_TYPE_dssSe ESLC_TAFF_TYPE_121 121
ESLC_MCON_TYPE_ssssssSe ESLC_TAFF_TYPE_122 122
ESLC_MCON_TYPE_ddssSe ESLC_TAFF_TYPE_123 123
ESLC_MCON_TYPE_sBr ESLC_TAFF_TYPE_Br 124
ESLC_MCON_TYPE_125ESLC_TAFF_TYPE_125125
ESLC_MCON_TYPE_126ESLC_TAFF_TYPE_126126
ESLC_MCON_TYPE_sSnH3 ESLC_TAFF_TYPE_127 127
ESLC_MCON_TYPE_ssSnH2 ESLC_TAFF_TYPE_128 128
ESLC_MCON_TYPE_sssSnH ESLC_TAFF_TYPE_129 129
ESLC_MCON_TYPE_ssssSn ESLC_TAFF_TYPE_130 130
ESLC_MCON_TYPE_sI ESLC_TAFF_TYPE_I 131
ESLC_MCON_TYPE_sPbH3 ESLC_TAFF_TYPE_132 132
ESLC_MCON_TYPE_ssPbH2 ESLC_TAFF_TYPE_133 133
ESLC_MCON_TYPE_sssPbH ESLC_TAFF_TYPE_134 134
ESLC_MCON_TYPE_ssssPb ESLC_TAFF_TYPE_135 135
ESLC_MCON_TYPE_136ESLC_TAFF_TYPE_136136