jranke/chents: Chemical Entities as R Objects

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.

Getting started

Package details

Maintainer
LicenseGPL
Version0.2-6
URL http://cgit.jrwb.de/chents
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
install.packages("devtools")
library(devtools)
install_github("jranke/chents")
jranke/chents documentation built on Sept. 29, 2018, 8:19 p.m.