view.molecule.2d

Create a 2D depiction of a molecule. If there are more than
one molecules supplied, return a grid woth <code>ncol</code> 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.molecule.2d function

<dl><dt>molecule</dt>
<dd>The molecule to query. Should be a `jobjRef` representing an `IAtomContainer`</dd>
<dt>ncol</dt>
<dd>Default <code>4</code></dd>
<dt>width</dt>
<dd>Default <code>200</code></dd>
<dt>height</dt>
<dd>Default <code>200</code></dd>
<dt>depictor</dt>
<dd>Default <code>NULL</code></dd></dl>

Arguments

view.molecule.2d — view.molecule.2d

<dl>

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


<dt>ncol</dt>
<dd>Default <code>4</code></dd>


<dt>width</dt>
<dd>Default <code>200</code></dd>


<dt>height</dt>
<dd>Default <code>200</code></dd>


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

</dl>

view.molecule.2d: view.molecule.2d

Description

Usage

Arguments