get.mol2formula

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.mol2formula function

<dl><dt>molecule</dt>
<dd>The molecule to query. Should be a `jobjRef` representing an `IAtomContainer`</dd>
<dt>charge</dt>
<dd>Optional. Default <code>0</code></dd></dl>

Arguments

get.mol2formula — get.mol2formula

<dl>

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


<dt>charge</dt>
<dd>Optional. Default <code>0</code></dd>

</dl>

get.mol2formula: get.mol2formula

Description

Usage

Arguments