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

[Geoffrey H. <ge...@ge...>]

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?

> 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.

Thanks!
-Geoff