It is better to ask questions on the openbabel mailing list - there are more people there to answer them.
On 27/03/2013 03:21, EDGAR R wrote: > I am a chemistry student. I read about your work OpenBabel and I have > some questions: > > 1. What do the numbers OpenBabel Fingerprint Program? http://openbabel.org/docs/dev/FileFormats/Fingerprint_format.html and many times on the mailing lists, e.g. in a thread starting on 15/09/2011. > 2. What dictionaries are used in the program to calculate the > fingerprint OpenBabel? The FP4 fingerprint uses data/SMARTS_InteLigand.txt. The default FP2 fingerprint does not have a fixed set of structures but is of the Daylight type which is described on their website. > > I will be very grateful for their help. > > Regards, > > Edgar > Colombia. > > > ------------------------------------------------------------------------------ Own the Future-Intel® Level Up Game Demo Contest 2013 Rise to greatness in Intel's independent game demo contest. Compete for recognition, cash, and the chance to get your game on Steam. $5K grand prize plus 10 genre and skill prizes. Submit your demo by 6/6/13. http://p.sf.net/sfu/intel_levelupd2d _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
