OETriposTypeΒΆ

The OETriposType namespace encodes symbolic constants representing Tripos atom types. These values are typically calculated by atom typing, read from a Sybyl mol2 format file and used in writing Sybyl mol2 format files.

This namespace contains the following constants:

Du

Dummy

Al

Aluminium

Br

Bromine

C1

Carbon \(sp\)

C2

Carbon \(sp^2\)

C3

Carbon \(sp^3\)

Car

Carbon aromatic

Ccat

\(C^+\) carbocation

Ca

Calcium

Cl

Chlorine

Cooh

Cobalt (octahedral)

Crth

Chromium (octahedral)

Croh

Chromium (tetrahedral)

Cu

Copper

F

Fluorine

Fe

Iron

H

Hydrogen

I

Iodine

K

Potassium

Li

Lithium

Lp

Lone pair

Mg

Magnesium

Mn

Manganese

Mo

Molybdenum

N1

Nitrogen \(sp\)

N2

Nitrogen \(sp^2\)

N3

Nitrogen \(sp^3\)

N4

Nitrogen \(sp^3\) with positive charge

Nam

Nitrogen in amide

Nar

Nitrogen aromatic

Npl3

Nitrogen trigonal planar

Na

Sodium

O2

Oxygen \(sp^2\)

O3

Oxygen \(sp^3\)

Oco2

Oxygen in carboxylate

P3

Phosphorous \(sp^3\)

S2

Sulfur \(sp^2\)

S3

Sulfur \(sp^3\)

Se

Selenium

So

Sulfur in sulfoxide

So2

Sulfur in sulfone

Si

Silicon

Sn

Tin

Zn

Zinc

MAXTYPE