aboutsummaryrefslogblamecommitdiff
path: root/DESCRIPTION
blob: 123c12fd09befc94ac919bc8b48f499be2a392bd (plain) (tree)
1
2
3
4
5
6
7
8


                                     
              
                
                                                                       
                                                    
                                                                        


                                                                              

                                                                          


            
         
         
            


             
              
        




                      
                                     
                  
Package: chents
Type: Package
Title: Chemical Entities as R Objects
Version: 0.2-7
Date: 2019-03-20
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. For plotting, you need
    grConvert (https://sjp.co.nz/projects/grconvert) which is not on CRAN.
Imports:
    webchem,
    R6,
    yaml,
    rsvg,
    grImport
Suggests:
    knitr,
    testthat,
    PythonInR,
    covr
License: GPL
LazyLoad: yes
LazyData: yes
Encoding: UTF-8
VignetteBuilder: knitr
URL: https://github.com/jranke/chents
RoxygenNote: 6.1.1

Contact - Imprint