> Fingerprints are 1D therefore similarity search is 1D. To my knowledge there > is no shape similarity search in OB.
The Spectrophore techniques are shape dependent. http://openbabel.org/docs/current/Fingerprints/spectrophore.html -Geoff ------------------------------------------------------------------------------ For Developers, A Lot Can Happen In A Second. Boundary is the first to Know...and Tell You. Monitor Your Applications in Ultra-Fine Resolution. Try it FREE! http://p.sf.net/sfu/Boundary-d2dvs2 _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
