Re: [Cdk-devel] CarbonConnectivityOrderZeroDescriptor

[Rajarshi G. <raj...@gm...>]

On Wed, Dec 16, 2009 at 11:18 AM, Stefan Kuhn <ste...@eb...> wrote:

> Hm, I just looked at the Chi* stuff and I can't really see which of them
> counts Carbons (which is what the CarbonConnectivityOrderZeroDescriptor
> did,
> as you said). Do you know which one actually replaces it?
>

ChiPathDescriptor. Within that, see order0()

(OK, on looking at that, I see that it considers all non-H atoms, not just
carbon atoms)

-- 
Rajarshi Guha
NIH Chemical Genomics Center