Re: [openbabel-scripting] A Pythonic interface to OpenBabel

[Noel O'B. <no...@ca...>]

On Tue, 2005-12-06 at 09:16 -0500, Geoffrey Hutchison wrote:
> On Dec 6, 2005, at 5:02 AM, Noel O'Boyle wrote:
> 
> > It should be possible to access 90% of the OpenBabel library following
> > these guidelines, and the other 10% can be accessed by 'advanced  
> > users'
> > through the original OpenBabel objects, atom.OBAtom in the example
> > above.
> 
> Sounds great! This certainly offers better syntax than the original  
> SWIG wrapper. Is it relatively easy to update the code as the library  
> changes?

Well, I won't argue "better" or "worse", but "easier for me" is
certainly true. I'll let you know how easy it is to update once I've
written it all - at the moment, piece of cake :-) (But I get your point)

> > I have done some work towards this goal (attached) although file  
> > format
> > conversion will have to wait until OpenBabel is ready.
> 
> > If there is some interest in this, I will put it up on SourceForge.  
> > Comments, suggestions
> > are welcome, of course.
> 
> Can this be included alongside the current SWIG wrapper in scripts/ 
> python? I'd ultimately like to have a separate download "package" for  
> each scripting module on SourceForge, but want to get slightly more  
> bulletproof code first.

Well, that'd be great.

> Thanks!
> -Geoff
>