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Documentation
R
rcdk

get.stereocenters

Identify which atoms are stereocenters.

Description

This method identifies stereocenters based on connectivity.

Usage

get.stereocenters(mol)

Arguments

mol

A jObjRef representing an IAtomContainer

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

Author(s)

See Also

rcdk

Interface to the 'CDK' Libraries

v3.5.0
LGPL
Authors
Rajarshi Guha [aut, cph], Zachary Charlop-Powers [cre], Emma Schymanski [ctb]
Initial release
2020-03-06

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