Hi Chris, Is there anyway to interact with the molecule number (e.g. molecule number 1, number 2, etc.) in an SDF file? I'm dealing with an SDF file with no molecule titles, and I would like to see which molecules pass a SMARTS filter. If I could even add the molecule number to the title, then I could use the "txt" output format to see the title.
- Noel ------------------------------------------------------------------------------ This SF.net Dev2Dev email is sponsored by: Show off your parallel programming skills. Enter the Intel(R) Threading Challenge 2010. http://p.sf.net/sfu/intel-thread-sfd _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel