/rcdk/man/removehydrogens.Rd
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})}