R/mol2text.R
In ceparman/mongochem:
Defines functions
mol2text
#' Title
#'
#' @param molecule
#'
#' @return
#' @export
#'
#' @examples
mol2text <-function(molecule) {
sdg <- rJava::.jnew("org.openscience.cdk.layout.StructureDiagramGenerator" )
sdg$setMolecule(molecule )
sdg$generateCoordinates()
mol <- sdg$getMolecule()
t <- mol$toString()
t
}
#mol2text(drugbank_structure[[1]])
ceparman/mongochem documentation built on Aug. 8, 2022, 2:10 a.m.
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Defines functions mol2text
#' Title
#'
#' @param molecule
#'
#' @return
#' @export
#'
#' @examples
mol2text <-function(molecule) {
sdg <- rJava::.jnew("org.openscience.cdk.layout.StructureDiagramGenerator" )
sdg$setMolecule(molecule )
sdg$generateCoordinates()
mol <- sdg$getMolecule()
t <- mol$toString()
t
}
#mol2text(drugbank_structure[[1]])
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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