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author | Johannes Ranke <jranke@uni-bremen.de> | 2016-09-27 16:43:15 +0200 |
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committer | Johannes Ranke <jranke@uni-bremen.de> | 2016-09-27 17:37:54 +0200 |
commit | 5bec469048899cfd785dec4f91ec3840cff18adb (patch) | |
tree | 438cd0d932466628ec9e486121cb9e56b2821f62 /README.md | |
parent | 1532aadbd632a3b82032de3f0b0f377660617a9f (diff) |
Add a bit of info to README
Diffstat (limited to 'README.md')
-rw-r--r-- | README.md | 12 |
1 files changed, 12 insertions, 0 deletions
@@ -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 <http://www.gnu.org/licenses/> + +## 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). |