What version of rcdk and rcdklibs are you using? You should update both rcdk (to 3.0.1) and rcdklibs (1.3.6.1) from CRAN either via CRAN or roll your own packages from github (http://github.com/rajarshi/cdkr)
If you'e all up to date, send the offending SDF file On Wed, Sep 29, 2010 at 12:08 PM, Michael Krein <[email protected]> wrote: > 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 > -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- > > > > ------------------------------------------------------------------------------ > Start uncovering the many advantages of virtual appliances > and start using them to simplify application deployment and > accelerate your shift to cloud computing. > http://p.sf.net/sfu/novell-sfdev2dev > _______________________________________________ > Cdk-user mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/cdk-user > -- Rajarshi Guha NIH Chemical Genomics Center ------------------------------------------------------------------------------ Start uncovering the many advantages of virtual appliances and start using them to simplify application deployment and accelerate your shift to cloud computing. http://p.sf.net/sfu/novell-sfdev2dev _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
