Rajarshi,
I just up install R 2.11 (Ubuntu debs), and rcdk/fingerprint, but:
> library("fingerprint")
> library("rcdk")
Loading required package: rJava
Loading required package: rcdklibs
Loading required package: png
Loading required package: iterators
> mol = parse.smiles("CCC")
> get.fingerprint(mol)
Error in get.fingerprint(mol) :
Must supply an IAtomContainer or something coercable to it
Am I doing something wrong?
Egon
--
Post-doc @ Uppsala University
Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg
Homepage: http://egonw.github.com/
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
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