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/rcdk/man/removehydrogens.Rd

http://github.com/rajarshi/cdkr
Unknown | 22 lines | 21 code | 1 blank | 0 comment | 0 complexity | 682e15e0b92eeb40feb4c7878e069308 MD5 | raw file
 1\name{remove.hydrogens}
 2\alias{remove.hydrogens}
 3\title{
 4  Remove Hydrogens from a Molecule
 5}
 6\description{
 7  This function generate a new \code{IAtomContainer} object in which the
 8  hydrogens have been removed. This can be useful for descriptor
 9  calculations.
10}
11\usage{
12remove.hydrogens(molecule)
13}
14\arguments{
15  \item{molecule}{A Java object of class \code{IAtomContainer}}
16}
17\value{
18  A \code{jobref} that refers to a \code{IAtomContainer} object
19}
20\keyword{programming}
21
22\author{Rajarshi Guha (\email{rajarshi.guha@gmail.com})}