Hello, >> Does anyone know if it's possible to make the value of a label (property) in >> an SD file the title for that molecule in the SD file?
Yes, I have a perl script which do that. Just email me if you still need it. >> I'm using the Windows GUI version of OpenBabel and I tried entering >> <Compound ID> >> in the form next to both "Appends properties or descriptors in list to >> title:" and "Append to >> title:" > Try "Compound ID" not "<Compound ID>. I think the option exists for command line too? Which is it? Thanks, Regards, Pascal ------------------------------------------------------------------------------ Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day trial. Simplify your report design, integration and deployment - and focus on what you do best, core application coding. Discover what's new with Crystal Reports now. http://p.sf.net/sfu/bobj-july _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
