From 84a2cfa3d8926cdd1f5be3a9a449afe3c888a095 Mon Sep 17 00:00:00 2001 From: Ranke Johannes Date: Thu, 28 Nov 2024 12:38:58 +0100 Subject: Polish documentation and Makefile The Makefile was adjusted to the way used in other packages of mine. Note that, @inheritParams does not work for superclasses yet, see https://github.com/r-lib/roxygen2/issues/996, so some function parameters are documented twice. --- README.html | 446 ------------------------------------------------------------ 1 file changed, 446 deletions(-) delete mode 100644 README.html (limited to 'README.html') diff --git a/README.html b/README.html deleted file mode 100644 index ad3d08d..0000000 --- a/README.html +++ /dev/null @@ -1,446 +0,0 @@ - - - - - - - - - - - - - -README - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -

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chents

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The R package chents provides some utilities for -working with chemical entities in R.

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Features

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Some chemical information is retrieved from the PubChem website -using the webchem package
If Python and RDKit (> 2015.03) are installed and configured for -use with ‘reticulate’, some basic chemoinformatics functions some -additional chemical information is computed and a 2D graph can be -plotted
Additional information can be read from a local .yaml file

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Examples

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Some examples are available from the reference on -jrwb.de.

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