I'm curious if anyone ever attempted to detect topicity using OpenBabel (or
other tools, for that matter).I feel it might be one of those non-trivial
problems, maybe worth writing a separate algorithm altogether.
Thanks,
S
--
Stefano Forli, PhD
Assistant Professor
Dept. of Integrative Structural
and Computational Biology, MB-112A
Scripps Research
10550 North Torrey Pines Road
La Jolla, CA 92037-1000, USA.
tel: +1 (858)784-2055
email: [email protected]
http://www.scripps.edu/faculty/forli/
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