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
Thanks!
-- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- --
Michael Krein
Breneman Research Group
Rensselaer Exploratory Center for Cheminformatics Research
Rensselaer Polytechnic Institute
-- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- --
On Sep 29, 2010, at 3:06 PM, Rajarshi Guha wrote:
> On Wed, Sep 29, 2010 at 2:56 PM, Michael Krein <[email protected]> wrote:
>
>> but iload using any/all options still bombs with,
>>> iload.molecules("157.poly.sdf", aromaticity=FALSE, typing=FALSE,
>>> isotopes=FALSE)
>
> This will work if you also specify the type='sdf' argument.
>
> --
> Rajarshi Guha
> NIH Chemical Genomics Center
>
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