remove.hydrogens

<p>A Java object of class <code>IAtomContainer</code></p>

molecule

<p>This function generate a new <code>IAtomContainer</code> object in which the
  hydrogens have been removed. This can be useful for descriptor
  calculations.</p>

programming

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

remove.hydrogens function

Remove Hydrogens from a Molecule — remove.hydrogens

Remove Hydrogens from a Molecule

remove.hydrogens: Remove Hydrogens from a Molecule

Description

Usage

Arguments

Value