get.stereocenters

This method identifies stereocenters based on connectivity.

Allows the user to access functionality in the
'CDK', a Java framework for chemoinformatics. This allows the user to load
molecules, evaluate fingerprints, calculate molecular descriptors and so on.
In addition, the 'CDK' API allows the user to view structures in 2D.

Zachary CharlopPowers

rcdk

Interface to the 'CDK' Libraries

Rajarshi Guha

Zachary Charlop-Powers

Emma Schymanski

get.stereocenters function

<dl><dt>mol</dt>
<dd>A <code>jObjRef</code> representing an <code>IAtomContainer</code></dd></dl>

Arguments

Rajarshi Guha <a href="/link/rajarshi.guha%40gmail.com?package=rcdk&version=3.8.1" data-mini-rdoc="rcdk::rajarshi.guha@gmail.com">rajarshi.guha@gmail.com</a>

Author

Identify which atoms are stereocenters. — get.stereocenters

<dl>

<dt>mol</dt>
<dd>A <code>jObjRef</code> representing an <code>IAtomContainer</code></dd>

</dl>

Rajarshi Guha <a href='mailto:rajarshi.guha@gmail.com'>rajarshi.guha@gmail.com</a>

get.stereocenters: Identify which atoms are stereocenters.

Description

Usage

Value

Arguments

Author

See Also