get.mcs

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

get.mcs function

<dl><dt>mol1</dt>
<dd>Required. First molecule to compare. Should be a `jobjRef` representing an `IAtomContainer`</dd>
<dt>mol2</dt>
<dd>Required. Second molecule to compare. Should be a `jobjRef` representing an `IAtomContainer`</dd>
<dt>as.molecule</dt>
<dd>Optional. Default <code>TRUE</code>.</dd></dl>

Arguments

get.mcs — get.mcs

<dl>

<dt>mol1</dt>
<dd>Required. First molecule to compare. Should be a `jobjRef` representing an `IAtomContainer`</dd>


<dt>mol2</dt>
<dd>Required. Second molecule to compare. Should be a `jobjRef` representing an `IAtomContainer`</dd>


<dt>as.molecule</dt>
<dd>Optional. Default <code>TRUE</code>.</dd>

</dl>

get.mcs: get.mcs

Description

Usage

Arguments