Perhaps it can help you by making the reverse method from this link with example code : http://baoilleach.blogspot.com/2008/10/molecular-graph-ics-with-pybel.html
(If there is no direct function). Good luck -- View this message in context: http://forums.openbabel.org/build-molfile-SMILES-from-graph-tp3625750p3630565.html Sent from the openbabel-devel mailing list archive at Nabble.com. ------------------------------------------------------------------------------ All of the data generated in your IT infrastructure is seriously valuable. Why? It contains a definitive record of application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-d2d-c2 _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
