|
From: <ern...@ba...> - 2009-03-19 14:11:19
|
Thx, >Probably the most useful would be to force aromaticity detection and >Kekulization and save it the results. would calling: mol.Kekulize() and IsAromatic() on any atom or bond and then storing bond order and IsAromatic for all atoms and bonds be sufficient to do this? Best Regards Ernst-Georg Schmid |