set.title

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

set.title function

<dl><dt>mol</dt>
<dd>The molecule to query. Should be a `jobjRef` representing an `IAtomContainer`</dd>
<dt>title</dt>
<dd>The title of the molecule as a character string. This will overwrite
any pre-existing title. The default value is an empty string.</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

Set the title of the molecule. — set.title

<dl>

<dt>mol</dt>
<dd>The molecule to query. Should be a `jobjRef` representing an `IAtomContainer`</dd>


<dt>title</dt>
<dd>The title of the molecule as a character string. This will overwrite
any pre-existing title. The default value is an empty string.</dd>

</dl>

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

set.title: Set the title of the molecule.

Description

Usage

Arguments

Author

See Also