view.table

Create a tabular view of a set of molecules (in 2D) and associated data columns

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

view.table function

<dl><dt>molecules</dt>
<dd>A list of molecule objects (`jobjRef` representing an `IAtomContainer`)</dd>
<dt>dat</dt>
<dd>The <code>data.frame</code> associated with the molecules, one per row</dd>
<dt>depictor</dt>
<dd>Default <code>NULL</code></dd></dl>

Arguments

view.table — view.table

<dl>

<dt>molecules</dt>
<dd>A list of molecule objects (`jobjRef` representing an `IAtomContainer`)</dd>


<dt>dat</dt>
<dd>The <code>data.frame</code> associated with the molecules, one per row</dd>


<dt>depictor</dt>
<dd>Default <code>NULL</code></dd>

</dl>

view.table: view.table

Description

Usage

Arguments