Hello everyone!
Sorry for the rookie question here; browsed the existing threads, and couldn't
find help (hopefully this is something very silly).
Installed rcdk from the cran repository the other day.
> library(rcdk)
Loading required package: rJava
Loading required package: rcdklibs
Loading required package: fingerprint
Loading required package: png
Loading required package: iterators
> load.molecules("157)
157.poly.sdf 157resp.txt
> load.molecules("157.poly.sdf")
Error in as.character.default(X[[1L]], ...) :
no method for coercing this S4 class to a vector
> iload.molecules("157.poly.sdf")
Error in .jcall("org/openscience/cdk/DefaultChemObjectBuilder",
"Lorg/openscience/cdk/DefaultChemObjectBuilder;", :
method getInstance with signature
()Lorg/openscience/cdk/DefaultChemObjectBuilder; not found
I've come up with the same errors on both OS X and Linux builds, running "R
version 2.11.1 (2010-05-31)"
Any help would be most appreciated!
Thanks!
-- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- --
Michael Krein
Breneman Research Group
Rensselaer Exploratory Center for Cheminformatics Research
Rensselaer Polytechnic Institute
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