[openbabel-scripting] Re: Scripting Progress

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

Hi folks,

Well, the 2005-07-01 snapshot is out, along with more recent  
scripting bindings for Python and Perl.

I can attest that the Perl module builds and loads correctly. I'm in  
the process of writing some tests and examples for it, and hopefully  
soon some work to help it integrate with PerlMol. In short, after  
building and installing the snapshot, "cd scripts/perl; perl  
Makefile.PL; make; make test" works perfectly.

I admit that I'm at a complete loss when building Python modules --  
it seems to compile correctly when I do it by hand, but the setup.py  
calls gcc instead of g++ for compilation. If anyone has suggestions  
on writing setup.py or working with Python distutils, please e-mail me.

I also would like some feedback on what functionality people want  
from a scripting wrapper. Clearly access to mol.h and obconversion.h  
(the new conversion framework) are key. Anything else?

Cheers,
-Geoff