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rcdk (version 3.8.1)

get.stereocenters: Identify which atoms are stereocenters.

Description

This method identifies stereocenters based on connectivity.

Usage

get.stereocenters(mol)

Value

A logical vector of length equal in length to the number of atoms. The i'th element is TRUE if the i'th element is identified as a stereocenter

Arguments

mol

A jObjRef representing an IAtomContainer

Author

Rajarshi Guha rajarshi.guha@gmail.com

See Also

get.element.types, get.stereo.types