Hi John, I will! //Staffan
Den tors 10 nov. 2022 kl 14:01 skrev John Mayfield < john.wilkinson...@gmail.com>: > Hi Staffan, > > Can you to open a GitHub issue, thanks. It's likely harmless but should be > silent so something we can tweak. > > John > > On Thu, 10 Nov 2022 at 12:39, Staffan Arvidsson McShane < > staffan.arvids...@gmail.com> wrote: > >> Hi, >> >> I'm getting the following warning every time I'm instantiating the >> AminoAcidCountDescriptor >> class: >> org.openscience.cdk.io.cml.CMLHandler WARN: Detected unknown convention: >> cdk:substructureList >> >> I'm not a chemist so I cannot tell if it actually outputs the correct >> descriptor results, but at least it outputs some values when I send in a >> molecule with some amino acids. Should I be concerned with the error >> message, I assume there is some bug in there somewhere? Tested in both >> version 2.7.1 and 2.8. >> >> Best, >> Staffan >> _______________________________________________ >> Cdk-user mailing list >> Cdk-user@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/cdk-user >> >
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