remove.hydrogens

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

molecule

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

programming

This package allows the user to access functionality in
        the CDK, a Java framework for cheminformatics. 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.

remove.hydrogens: Remove Hydrogens from a Molecule

Description

Usage

Arguments

Value