path: root/DESCRIPTION

Package: chents
Type: Package
Title: Chemical Entities as R Objects
Version: 0.3.1
Date: 2023-06-08
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 'reticulate', some basic chemoinformatics functions
    like the calculation of molecular weight and plotting of chemical
    structures in R graphics are available. For plotting, you need
    grConvert (https://sjp.co.nz/projects/grconvert) which is not on CRAN.
Imports:
    webchem,
    R6,
    yaml,
    rsvg,
    grImport,
    reticulate
Suggests:
    knitr,
    testthat,
    covr,
    devEMF
License: GPL
LazyLoad: yes
LazyData: yes
Encoding: UTF-8
URL: https://github.com/jranke/chents
RoxygenNote: 7.2.1