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Package: chents
Type: Package
Title: Chemical Entities as R Objects
-Version: 0.2-9
-Date: 2020-10-13
+Version: 0.3.4
+Date: 2024-04-07
Authors@R: c(person("Johannes", "Ranke", role = c("aut", "cre", "cph"),
- email = "jranke@uni-bremen.de"))
+ email = "johannes.ranke@jrwb.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.
+ structures in R graphics are available.
Imports:
webchem,
R6,
yaml,
rsvg,
- grImport
+ grImport,
+ reticulate
Suggests:
knitr,
testthat,
- PythonInR,
covr,
devEMF
License: GPL
LazyLoad: yes
LazyData: yes
Encoding: UTF-8
-VignetteBuilder: knitr
-URL: https://github.com/jranke/chents
-RoxygenNote: 7.1.1.9000
+URL: https://pkgdown.jrwb.de/chents, https://github.com/jranke/chents
+Roxygen: list(markdown = TRUE, r6 = TRUE)
+RoxygenNote: 7.3.1

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