Hi My main machine has OpenBabel 2.3.1 installed and this command works fine.
ChrisMacbookPro:~ swain$ /usr/local/bin/obgrep -v -c "NNNN" /Users/swain/Desktop/ChemicalStructures/acetophenones.sdf 665 The number being the number of molecules in the sdf file. I've been playing around with OpenBabel 2.3.2 from SVN and I now get an error, it seems I now need to explicitly include the input file type. ChrisMacbookPro:~ swain$ /usr/local/bin/obgrep -v -c "NNNN" /Users/swain/Desktop/ChemicalStructures/acetophenones.sdf Does not work but if I include -isdf it does work. SMILES files work with or without the input file defined. I'm not sure if this is something I have done or if it is a bug? Cheers, Chris ------------------------------------------------------------------------------ Free Next-Gen Firewall Hardware Offer Buy your Sophos next-gen firewall before the end March 2013 and get the hardware for free! Learn more. http://p.sf.net/sfu/sophos-d2d-feb _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
