> I could install this new version of Openbabel and readapt a part of the code > of poltype and it dit work but a warning was made after a test about the > failure to kekulize aromatic bonds ?
We'd need to see the file, but it looks like you're attempting to perceive bond orders from a Gaussian file. The warning shows up when the bond orders are not automatically detected. Best regards, -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: geo...@pitt.edu twitter: @ghutchis web: https://hutchisonlab.org/ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
