[ghemical-devel] Re: [Open Babel] Suggestions

[Tommi Hassinen]

On Tue, 31 Jan 2006, Geoffrey Hutchison wrote:

> I don't know the best way to handle the potential circular dependency, but 
> here's one thought:
> * Open Babel checks for libghemical to incorporate the force field, conformer 
> generation, etc.
> * Libghemical removes the dependency on Open Babel (the current code actually 
> doesn't use libopenbabel in libghemical)
> * Ghemical (the program) still relies on libghemical *and* libopenbabel where 
> available.

Hello,

this sounds good ; the current CVS version of libghemical already have 
mopac7 and OpenBabel as options that you have to specifically switch on 
for use.

I can easily move the OpenBabel option at the ghemical app level 
(libghemical only does calculations and knows little about file formats).

Regards,

 	Tommi