get.atoms

Get the atoms from a molecule or bond.

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.atoms function

<dl><dt>object</dt>
<dd>A `jobjRef` representing either a molecule (`IAtomContainer`) or 
bond (`IBond`) object.</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 the atoms from a molecule or bond. — get.atoms

<dl>

<dt>object</dt>
<dd>A `jobjRef` representing either a molecule (`IAtomContainer`) or 
bond (`IBond`) object.</dd>

</dl>

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

get.atoms: Get the atoms from a molecule or bond.

Description

Usage

Value

Arguments

Author

See Also