diff options
Diffstat (limited to 'DESCRIPTION')
| -rw-r--r-- | DESCRIPTION | 10 |
1 files changed, 5 insertions, 5 deletions
diff --git a/DESCRIPTION b/DESCRIPTION index a00e9a4..041999c 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,13 +1,13 @@ Package: chents Type: Package Title: Chemical Entities as R Objects -Version: 0.2-9 -Date: 2020-10-13 +Version: 0.3.1 +Date: 2021-11-18 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 + 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. @@ -20,7 +20,7 @@ Imports: Suggests: knitr, testthat, - PythonInR, + reticulate, covr, devEMF License: GPL @@ -28,4 +28,4 @@ LazyLoad: yes LazyData: yes Encoding: UTF-8 URL: https://github.com/jranke/chents -RoxygenNote: 7.1.1.9000 +RoxygenNote: 7.1.2 |