and, as an aside, it doesn't help that to access the base openbabel methods from a pybel mol object you use Pybel.Mol.OBMol, but to access the openbabel smarts methods, you need to use Pybel.Smarts.obsmarts. :-)
On Jul 7, 2011, at 2:39 PM, Geoffrey Hutchison wrote: >> Is there an easy way to generate a printable representation of a SMARTS >> query object from the object? I guess I could carry the string >> representation that the query was generated from around with the query in a >> tuple, but I'm hoping to find something a little cleaner. > > Use the GetSMARTS() method? > > http://openbabel.org/api/2.3/classOpenBabel_1_1OBSmartsPattern.shtml#a52d9a732c39944ff60d06aeacb96617c > > Hope that helps, > -Geoff ------------------------------------------------------------------------------ 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-scripting mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-scripting
