> I am trying to evaluate whether this software can help me compare two > chemical structures and find out whether they are same or similar.
Well, I'm not exactly sure what you want, but yes there are ways to detect identical molecules or compute similarity: http://openbabel.org/docs/current/Command-line_tools/babel.html#substructure-and-similarity-searching (Among other pages in the documentation.) Hope that helps, -Geoff ------------------------------------------------------------------------------ Learn Graph Databases - Download FREE O'Reilly Book "Graph Databases" is the definitive new guide to graph databases and their applications. Written by three acclaimed leaders in the field, this first edition is now available. Download your free book today! http://p.sf.net/sfu/NeoTech _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
