[Molekel-users] Molekel and Open Babel

Geoffrey Hutchison geoff at geoffhutchison.net
Mon Feb 12 11:52:25 EST 2007


I'm one of the lead developers and maintainer of Open Babel. First  
off, I wanted to say thanks for using OB in the new Molekel and I  
hope it's working well for you.

I probably should have e-mailed sooner when I heard a few months ago  
about the MinGW problems:
http://bioinformatics.org/molekel/wiki/Main/OpenBabel

We're currently well on our way to releasing OB-2.1 and I'd like to  
make sure:
* The new release works cleanly on MinGW if that's what you're using  
for Windows.
* Any bugs you've discovered are integrated back into the OB code base.

Obviously, I'd also be really thrilled to see some of your new  
classes and functionality into the main Open Babel codebase. Some of  
the changes we've been making are similar in spirit, including some  
work to make it easier to read and write grids like a Gaussian cube  
file (OBFloatGrid).

I hope to talk more -- please let me know if you have any bug reports  
or feature requests, etc.

Thanks,
-Geoff


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