get.atom.index

Get the index of an atom in a molecule.

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.atom.index function

<dl><dt>atom</dt>
<dd>The atom object</dd>
<dt>mol</dt>
<dd>The `IAtomContainer` object containing the atom</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

get.atom.index — get.atom.index

<dl>

<dt>atom</dt>
<dd>The atom object</dd>


<dt>mol</dt>
<dd>The `IAtomContainer` object containing the atom</dd>

</dl>

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

get.atom.index: get.atom.index

Description

Usage

Value

Arguments

Author

Details

See Also