Re: [Cdk-user] Generic Symbols

John: That's helpful, I appreciate your prompt response. Thanks Velusamy K. Velu 614-323-9649 On Tue, Nov 7, 2023 at 10:42 AM John Mayfield wrote: > In CDK t

Re: [Cdk-user] Generic Symbols

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]. The more correct way in CXSMILES would be *C |$R1$|. On Mon, 6 Nov 2023 at 21:42, Velusamy Velu wrote: > Hi Friends: > > I want to know how t

[Cdk-user] Generic Symbols

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