Is that possible to break bonds (or generate fragments) with ChemmineR?

girke-lab / ChemmineR-git-svn-bridge

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Is that possible to break bonds (or generate fragments) with ChemmineR? #37

Open ajing opened 8 years ago

ajing commented 8 years ago

I try to generate fragments by breaking one single bond in rCDK or other R Cheminformatics packages, but I cannot find the right function. Does ChemmineR offer such functionality?

tgirke commented 8 years ago

Currently, such a function has not been implemented in ChemmineR. If there is enough demand for a specific use case then we could add it to the to-do list. - Thomas