Does anyone have any ideas about how to stop inchi complaining about undefined stereocenters? We know it's undefined - we don't need to hear all about it.
>>> pybel.readstring("smi", "FC(Br)(Cl)I").write("inchi") ============================== *** Open Babel Warning in InChI code #0 :Omitted undefined stereo 'InChI=1S/CBrClFI/c2-1(3,4)5\n' >>> - Noel ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel