deisotoper

This package contains a Java implementation of

• Features Based Deisotoping Method

Installation

from github

Install the latest development version:

install.packages(c('rJava', 'devtools', 'DiagrammeR', 'lattice', 'roxygen2',
          'protViz', 'shiny', 'testthat', 'knitr'))
library(devtools)
install_git('https://github.com/protViz/deisotoper', build_vignettes = TRUE, quiet = FALSE)

sudo R CMD javareconf

from deisotoper_0.0.3.tar.gz

Install the latest JDK(>= 8.0) and R(>=3.3). Then run in R:

install.packages(c('rJava', 'devtools', 'DiagrammeR', 'lattice', 'roxygen2',
          'protViz', 'shiny', 'testthat', 'knitr'))
install.packages("~/deisotoper_0.0.3.tar.gz", repos = NULL, type = "source")

sudo R CMD javareconf

from CRAN

Install the latest JDK(>= 8.0) and R(>=3.3). Then run in R:

install.packages(c('rJava', 'devtools', 'DiagrammeR', 'lattice', 'roxygen2',
          'protViz', 'shiny', 'testthat', 'knitr'))
install.packages("deisotoper")

sudo R CMD javareconf

Documentation

The package ships with a package vignette browseVignettes('deisotoper') (>=0.0.2) and a reference manual (just type ?deisotoper on the R shell).