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CDK-R / cdkr

Integrating R and the CDK
https://cdk-r.github.io/cdkr/
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rpubchem bug #22

Closed zachcp closed 10 years ago

zachcp commented 10 years ago

Hi,

thanks for your rcdk packages. I've just started trying them and have encountered the following bug in rpubchem.

x  <- get.cid(3197)
 x$CanonicalSmile
>[1] "C51H64N12O12S2"

Looks like everything after the IUPACName is off. Somewhere or another the XML parsing is off. Looks like maybe line 280.

Just built the package from source and it worked fine. This was probably due to #17 Maybe this can get bumped to CRAN?

zachcp

rajarshi commented 10 years ago

Thanks for pointing this out. I've pushed 1.5.0 to CRAN, so it should show up shortly