From 5bec469048899cfd785dec4f91ec3840cff18adb Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Tue, 27 Sep 2016 16:43:15 +0200 Subject: Add a bit of info to README --- README.md | 12 ++++++++++++ 1 file changed, 12 insertions(+) (limited to 'README.md') diff --git a/README.md b/README.md index b0647b3..2db5787 100644 --- a/README.md +++ b/README.md @@ -16,3 +16,15 @@ This means: You should have received a copy of the GNU General Public License along with this program. If not, see + +## Features + +- Some chemical information is retrieved from the PubChem website using the webchem +package +- If PythonInR is installed and configured, and RDKit is available via +PythonInR, some additional chemical information is computed and a 2D graph can +be plotted +- Additional information can be read from a local .yaml file + +Some examples are available from the +[Reference on github](https://jranke.github.io/chents/reference.html). -- cgit v1.2.1