CCL: program to split sdf file

[Geoffrey Hutchison <grh25#cornell.edu>]

Dear Dr. Ihlenfeldt,

Alas, I think the poor submitter found out that there's more than one way to split an SD file. 

OpenBabel has been suggested for problem. There are several problems with that proposal:

...

OK, enough criticism, here is constructive help:

No, no. Thanks very much! We appreciate any and all bug reports and feedback -- as I mentioned in my previous message to the list, no one had yet requested to use Open Babel to split files into chunks of X molecules (where X > 1). That's pretty easy for us to add (or anyone, since the code is open.)

And we obviously didn't know about those particular snags with SD files -- certainly testing and testing and testing is the best approach. It's important to hold chemistry software to a high standard.

So thanks to you, I filed your helpful suggestions and bug reports into our public tracker. Please feel free to keep the critiques coming:

http://sourceforge.net/projects/openbabel

Cheers!

-Geoff

--

-Dr. Geoffrey Hutchison        <grh25|cornell.edu>

Cornell University, Department of Chemistry and Chemical Biology

Abruña Group                http://abruna.chem.cornell.edu/