From 762114a5ea6393cc73a09616b937397349c1a259 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Mon, 5 Dec 2016 16:00:39 +0100 Subject: Use new rdkit drawing code This is SVG only, therefore use grConvert to convert to postscript before importing using grImport. SVG size is currently hardcoded. --- DESCRIPTION | 13 +++++++------ 1 file changed, 7 insertions(+), 6 deletions(-) (limited to 'DESCRIPTION') diff --git a/DESCRIPTION b/DESCRIPTION index c50c9b4..a753034 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -2,18 +2,19 @@ Package: chents Type: Package Title: Chemical Entities as R Objects Version: 0.2-5 -Date: 2016-10-14 +Date: 2016-12-05 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 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. + 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. Imports: webchem, R6, grImport, + grConvert, yaml Suggests: knitr, @@ -25,4 +26,4 @@ LazyData: yes Encoding: UTF-8 VignetteBuilder: knitr URL: http://cgit.jrwb.de/chents -RoxygenNote: 5.0.1 +RoxygenNote: 5.0.1.9000 -- cgit v1.2.1