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

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

On Tue, 2005-12-06 at 10:11 -0800, S Joshua Swamidass wrote:
> Noel, how did you fix the compile/linking problems?
I didn't fix those problems, but those problems only occur when you try
file conversion. So I have just written code to use the other parts, so
far.

> Josh
> 
> On 06/12/05, Noel O'Boyle <no...@ca...> wrote:
> > 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
> > >
> >
> >
> >
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