[ghemical-devel] Re: OB-2.0 released

[Geoffrey Hutchison]

On Nov 28, 2005, at 2:05 AM, Jean Bréfort wrote:

>> One thing I'm interested to try is to allow Open Babel to access
>> libghemical for SMILES -> coordinate generation. The idea would be to
>> have OB check for libghemical, do a simple structure layout
>> preserving chirality, stereochemistry, etc. and then call libghemical
>> to do a geometry optimization.

Oh, I forgot to ask. Tommi, right now the "synchronize" code is in  
the Ghemical code, not libghemical:
filetrans.cpp:void file_trans::Synchronize(void)

Can I move this out of file_trans into libghemical somewhere? What's  
the best place?

Cheers,
-Geoff