Chemical Data Processing Library Python API - Version 1.1.1
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Provides constants for the specification of the Tripos Sybyl atom type. More...
Static Public Attributes | |
int | UNKNOWN = 0 |
Atom with no matching Sybyl atom type. | |
int | C_3 = 1 |
Specifies sp3 Carbon. | |
int | C_2 = 2 |
Specifies sp2 Carbon. | |
int | C_1 = 3 |
Specifies sp Carbon. | |
int | C_ar = 4 |
Specifies an aromatic Carbon. | |
int | C_cat = 5 |
Specifies a Carbocation (C+), used only in a guanidinium group. | |
int | N_3 = 6 |
Specifies sp3 Nitrogen. | |
int | N_2 = 7 |
Specifies sp2 Nitrogen. | |
int | N_1 = 8 |
Specifies sp Nitrogen. | |
int | N_ar = 9 |
Specifies an aromatic Nitrogen. | |
int | N_am = 10 |
Specifies Nitrogen in amides. | |
int | N_pl3 = 11 |
Specifies a trigonal planar Nitrogen. | |
int | N_4 = 12 |
Specifies a positively charged sp3 Nitrogen. | |
int | O_3 = 13 |
Specifies sp3 Oxygen. | |
int | O_2 = 14 |
Specifies sp2 Oxygen. | |
int | O_co2 = 15 |
Specifies Oxygen in carboxylate and phosphate groups. | |
int | O_spc = 16 |
Specifies Oxygen in the Single Point Charge (SPC) water model. | |
int | O_t3p = 17 |
Specifies Oxygen in the Transferable Intermolecular Potential (TIP3P) water model. | |
int | S_3 = 18 |
Specifies sp3 Sulfur. | |
int | S_2 = 19 |
Specifies sp2 Sulfur. | |
int | S_O = 20 |
Specifies Sulfur in sulfoxides. | |
int | S_O2 = 21 |
Specifies Sulfur in sulfones. | |
int | P_3 = 22 |
Specifies sp3 Phosphorous. | |
int | F = 23 |
Specifies Fluorine. | |
int | H = 24 |
Specifies Hydrogen. | |
int | H_spc = 25 |
Specifies Hydrogen in the Single Point Charge (SPC) water model. | |
int | H_t3p = 26 |
Specifies Hydrogen in the Transferable intermolecular Potential (TIP3P) water model. | |
int | LP = 27 |
Specifies a lone pair. | |
int | Du = 28 |
Specifies a dummy atom. | |
int | Du_C = 29 |
Specifies a dummy Carbon. | |
int | Any = 30 |
Specifies any atom. | |
int | Hal = 31 |
Specifies any halogen. | |
int | Het = 32 |
Specifies a heteroatom (N, O, S or P). | |
int | Hev = 33 |
Specifies any heavy atom (non-Hydrogen). | |
int | Li = 34 |
Specifies Lithium. | |
int | Na = 35 |
Specifies Sodium. | |
int | Mg = 36 |
Specifies Magnesium. | |
int | Al = 37 |
Specifies Aluminum. | |
int | Si = 38 |
Specifies Silicon. | |
int | K = 39 |
Specifies Potassium. | |
int | Ca = 40 |
Specifies Calcium. | |
int | Cr_th = 41 |
Specifies Chromium (tetrahedral). | |
int | Cr_oh = 42 |
Specifies Chromium (octahedral). | |
int | Mn = 43 |
Specifies Manganese. | |
int | e = 44 |
int | Co_oh = 45 |
Specifies Cobalt (octahedral). | |
int | Cu = 46 |
Specifies Copper. | |
int | Cl = 47 |
Specifies Chlorine. | |
int | Br = 48 |
Specifies Bromine. | |
int | I = 49 |
Specifies Iodine. | |
int | Zn = 50 |
Specifies Zinc. | |
int | Se = 51 |
Specifies Selenium. | |
int | Mo = 52 |
Specifies Molybdenum. | |
int | Sn = 53 |
Specifies Tin. | |
int | MAX_TYPE = 55 |
Marks the end of all supported atom types. | |
Provides constants for the specification of the Tripos Sybyl atom type.