Hi All,
I wanted to find the molecular descriptors of the attached molecule
"Temp_2.sdf". For that I did these things:
(1) mols=load.molecules("Temp_2.sdf")
(2) convert.implicit.to.explicit(mols[[1]])
At this point I got the following error:
"Error in
.jcall("org/openscience/cdk/tools/manipulator/AtomContainerManipulator", :
org.openscience.cdk.exception.CDKException: IAtom is not typed! S"
How can I solve this problem?
Thanks.
With Best Regards,
Srikant Prasad Verma,
Project Assistant,
Institute Of Genomics & Integrative Biology, India
Temp_2.sdf
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