In CDK they are called Psuedo atoms. You can manually create from or load from an input.
In SMILES you can do the following (CDK extension) [R1]CCCC. The more correct way in CXSMILES would be *CCCCC |$R1$|. On Mon, 6 Nov 2023 at 21:42, Velusamy Velu <vv...@peruselab.com> wrote: > Hi Friends: > > I want to know how the generic symbols like X for halogens, R, R', R'' and > Me, Et, Pr, Ar and Ph (Methyl, Ethyl, Propyl, Aryls, & Phenyl) etc are > handled by CDK? > > Is there any good documentation in this regard? Your help is much > appreciated. > > Thanks > > Velusamy K. Velu > (614) 323-9649 > <https://peruselab.com> <https://www.linkedin.com/company/peruselab/> > <https://twitter.com/PeruseLab> <https://www.facebook.com/PeruseLab/> > _______________________________________________ > Cdk-user mailing list > Cdk-user@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/cdk-user >
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