Re: [OpenBabel-scripting] Unable to set molecule name in pybel?

[Noel O'B. <bao...@gm...>]

On 05/09/2008, Geoffrey Hutchison <ge...@ge...> wrote:
>
>  On Sep 5, 2008, at 7:50 AM, Noel O'Boyle wrote:
>
>
> > I can't easily check at the moment (I'm on holidays), but earlier
> > versions of Pybel didn't allow the user to set the title, just read
> > the title.
> >
>
>  Correct me if I'm wrong, but shouldn't a Pybel molecule still be an OBMol?
> Since Pybel includes the Open Babel wrapper, the C++ methods should still be
> exposed.
>
>  mol.SetTitle("Foo!")
>
>  Does that work?

Actually, it would be mol.OBMol.SetTitle("Foo!"), where mol is the
Pybel Molecule.

See line 225 of
http://code.google.com/p/cinfony/source/browse/trunk/cinfony/pybel.py
for the current pybel code using this.

>  Cheers,
>  -Geoff
>