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>mol1</code></td>
<td>
<p>Required. First molecule to compare. Should be a 'jobjRef' representing an 'IAtomContainer'</p>
</td>
</tr>
<tr valign="top">
<td><code>mol2</code></td>
<td>
<p>Required. Second molecule to compare. Should be a 'jobjRef' representing an 'IAtomContainer'</p>
</td>
</tr>
<tr valign="top">
<td><code>as.molecule</code></td>
<td>
<p>Optional. Default <code>TRUE</code>.</p>
</td>
</tr>
</table>

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

`mol1`	Required. First molecule to compare. Should be a 'jobjRef' representing an 'IAtomContainer'
`mol2`	Required. Second molecule to compare. Should be a 'jobjRef' representing an 'IAtomContainer'
`as.molecule`	Optional. Default `TRUE`.

get.mcs

Description

Usage

Arguments

rcdk

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