get.stereo.types: Obtain the stereocenter type for atom.

View source: R/stereo.R

get.stereo.typesR Documentation

Obtain the stereocenter type for atom.

Description

Supported stereo center types are

True

the atom has constitutionally different neighbors

Para

the atom resembles a stereo centre but has constitutionally equivalent neighbors (e.g. inositol, decalin). The stereocenter depends on the configuration of one or more stereocenters.

Potential

the atom can supported stereo chemistry but has not be shown ot be a true or para center

Non

the atom is not a stereocenter (e.g. methane)

Usage

get.stereo.types(mol)

Arguments

mol

A jObjRef representing an IAtomContainer

Value

A factor of length equal in length to the number of atoms indicating the stereocenter type.

Author(s)

Rajarshi Guha rajarshi.guha@gmail.com

See Also

get.stereocenters, get.element.types


rcdk documentation built on Sept. 26, 2022, 5:09 p.m.