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.

Interface to the 'CDK' Libraries

package-ubuntu-20.04-r-4.0.5#cran#rcdk-3.5.0

<table summary="R argblock">
<tr valign="top">
<td><code>molecule</code></td>
<td>
<p>The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer'</p>
</td>
</tr>
<tr valign="top">
<td><code>charge</code></td>
<td>
<p>Optional. Default <code>0</code></p>
</td>
</tr>
</table>

package-ubuntu-20.04-r-4.0.5#cran#rcdk-3.5.0#docs#get.mol2formula

`molecule`	The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer'
`charge`	Optional. Default `0`

get.mol2formula

Description

Usage

Arguments

rcdk

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