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Chemical Data Processing Library Python API - Version 1.1.1
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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...
Inheritance diagram for CDPL.Chem.SybylAtomType: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.
1.8.20