El mié, 22-02-2012 a las 11:16 -0500, Geoffrey Hutchison escribió:
> > Im asking because I am using CDK and OpenBabel, and I am suffering of
> > interoperability problems, because both tools have different ways of
> > defining aromaticity.
>
> There is no unified aromaticity model in chemistry. I'
This is somewhat unrelated but I found that CDK has a well-documented
aromaticity algorithm. You could try looking at that before examining Open
Babel's implementation. They might be similar.
On Wed, Feb 22, 2012 at 8:16 AM, Geoffrey Hutchison <
ge...@geoffhutchison.net> wrote:
> > Im asking be
> Im asking because I am using CDK and OpenBabel, and I am suffering of
> interoperability problems, because both tools have different ways of
> defining aromaticity.
There is no unified aromaticity model in chemistry. I'm not sure the
aromaticity algorithm in Open Babel is publishable, and even
