path: root/DESCRIPTION

Package: chents
Type: Package
Title: Chemical Entities as R Objects
Version: 0.2-6
Date: 2017-03-06
Authors@R: c(person("Johannes", "Ranke", role = c("aut", "cre", "cph"), 
                    email = "jranke@uni-bremen.de"))
Description: Utilities for dealing with chemical entities and associated
    data as R objects. If Python and RDKit (> 2015.03) are installed and
    configured for use with 'PythonInR', some basic chemoinformatics functions
    like the calculation of molecular weight and plotting of chemical
    structures in R graphics are available.
Imports:
    webchem,
    R6,
    grImport,
    grConvert,
    yaml
Suggests:
    knitr,
    testthat,
    PythonInR
License: GPL
LazyLoad: yes
LazyData: yes
Encoding: UTF-8
VignetteBuilder: knitr
URL: http://cgit.jrwb.de/chents
RoxygenNote: 5.0.1.9000