"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
