Please pull after rebasing

CDK-R / cdkr

Integrating R and the CDK

https://cdk-r.github.io/cdkr/

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Please pull after rebasing #11

Closed sneumann closed 11 years ago

sneumann commented 11 years ago

Hi,

I hope I got things right, because I am still a git beginner, and I had quite a few conflicts and needed to push --force, which does not feel right. So please check the commits before pulling.

Yours, Steffen

sneumann commented 11 years ago

Unfortunately Emma is right in that this version will not display charges:

library(rcdk) m <- parse.smiles("[CH2+]")[[1]] view.molecule.2d(m)

Steffen