remove.hydrogens {rcdk}R Documentation

Remove Hydrogens from a Molecule

Description

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

Usage

remove.hydrogens(molecule)

Arguments

molecule A Java object of class IAtomContainer

Value

A jobref that refers to a IAtomContainer object

Author(s)

Rajarshi Guha (rguha@indiana.edu)


[Package rcdk version 2.9.2 Index]