/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}
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  2. \alias{remove.hydrogens}
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  3. \title{
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  4.   Remove Hydrogens from a Molecule
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  5. }
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  6. \description{
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  7.   This function generate a new \code{IAtomContainer} object in which the
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  8.   hydrogens have been removed. This can be useful for descriptor
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  9.   calculations.
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  10. }
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  11. \usage{
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  12. remove.hydrogens(molecule)
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  13. }
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  14. \arguments{
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  15.   \item{molecule}{A Java object of class \code{IAtomContainer}}
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  16. }
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  17. \value{
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  18.   A \code{jobref} that refers to a \code{IAtomContainer} object
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  19. }
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  20. \keyword{programming}
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  21. 

  22. \author{Rajarshi Guha (\email{rajarshi.guha@gmail.com})}
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