Hi Greg, there is a typo on the page describing the creation of a database using eMolecules:
sed in the form 's/\\/\\\\/' to escape backslashes will only replace the first occurrence of the match, the 'g' at the end is necessary to replace all occurrences on a line. grep '6172136' eMolecules-2011-01-02.smi | sed 's/\\/\\\\/' C/C(=C\\c1ccccc1)/C=C\1/N=C(OC1=O)c1ccc(cc1)[N+](=O)[O-] 6172136 grep '6172136' eMolecules-2011-01-02.smi | sed 's/\\/\\\\/g' C/C(=C\\c1ccccc1)/C=C\\1/N=C(OC1=O)c1ccc(cc1)[N+](=O)[O-] 6172136 Cheers, Adrian ------------------------------------------------------------------------------ WhatsUp Gold - Download Free Network Management Software The most intuitive, comprehensive, and cost-effective network management toolset available today. Delivers lowest initial acquisition cost and overall TCO of any competing solution. http://p.sf.net/sfu/whatsupgold-sd _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
