On Wed, Sep 29, 2010 at 3:10 PM, Michael Krein <[email protected]> wrote: > Dr. Guha, > >> iload.molecules("157.poly.sdf", type="sdf", aromaticity=FALSE, >> typing=FALSE, isotopes=FALSE) > Error in .jcall("org/openscience/cdk/DefaultChemObjectBuilder", > "Lorg/openscience/cdk/DefaultChemObjectBuilder;", : > method getInstance with signature > ()Lorg/openscience/cdk/DefaultChemObjectBuilder; not found > >> iload.molecules("157.poly.sdf", type='sdf', aromaticity=FALSE, >> typing=FALSE, isotopes=FALSE) > Error in .jcall("org/openscience/cdk/DefaultChemObjectBuilder", > "Lorg/openscience/cdk/DefaultChemObjectBuilder;", : > method getInstance with signature > ()Lorg/openscience/cdk/DefaultChemObjectBuilder; not found > > Maybe the solution here for me is more coffee for me. :-P
Nope, the coffee should be for me - my mistake. It is indeed a bug. I've updated the code in git and I'll push to CRAN in a day or two -- 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
