FP2 is a Daylight-type fingerprint. It is based only on connectivity, and does not incorporate any stereochemical information, so 2D or 3D structures will give the same results.
- Noel On 11 January 2012 14:23, David García Aristegui <ariste...@cbm.uam.es> wrote: > "First of all, you need to create a fastsearch index (see above). The > index is created with the following command: > > babel mymols.sdf -ofs" > > http://openbabel.org/docs/dev/Fingerprints/fingerprints.html > > Could you please tell me the differences between the use of a 2D or a 3D > sdf file regarding the .fs generation? > > Kind regards. > > > > > ------------------------------------------------------------------------------ > Ridiculously easy VDI. With Citrix VDI-in-a-Box, you don't need a complex > infrastructure or vast IT resources to deliver seamless, secure access to > virtual desktops. With this all-in-one solution, easily deploy virtual > desktops for less than the cost of PCs and save 60% on VDI infrastructure > costs. Try it free! http://p.sf.net/sfu/Citrix-VDIinabox > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss ------------------------------------------------------------------------------ Ridiculously easy VDI. With Citrix VDI-in-a-Box, you don't need a complex infrastructure or vast IT resources to deliver seamless, secure access to virtual desktops. With this all-in-one solution, easily deploy virtual desktops for less than the cost of PCs and save 60% on VDI infrastructure costs. Try it free! http://p.sf.net/sfu/Citrix-VDIinabox _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
