Obtain the stereocenter type for atom. — get.stereo.types • rcdk

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.

See also

get.stereocenters, get.element.types

Author

Rajarshi Guha rajarshi.guha@gmail.com