set.charge.formula

Set the charge to a cdkFormula function.

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

set.charge.formula function

<dl><dt>formula</dt>
<dd>Required. Molecular formula</dd>
<dt>charge</dt>
<dd>Optional. Default <code>-1</code></dd></dl>

Arguments

set.charge.formula — set.charge.formula

<dl>

<dt>formula</dt>
<dd>Required. Molecular formula</dd>


<dt>charge</dt>
<dd>Optional. Default <code>-1</code></dd>

</dl>

set.charge.formula: set.charge.formula

Description

Usage

Arguments