Hi,
> Yes, this would definitely be a bug, although I can see that it's ionizing an > alpha-beta unsaturated ketone. Doesn't justify why the oxygen has one double bond and one simple bond :) I did it again with Open Babel 2.3.00 (-p7.4), same results as 2.2.99: O=C1COC=C1 not ionized [O-]C1=CC=[O]C1 ionized I'll file a bug. Regards, Pascal ------------------------------------------------------------------------------ Download new Adobe(R) Flash(R) Builder(TM) 4 The new Adobe(R) Flex(R) 4 and Flash(R) Builder(TM) 4 (formerly Flex(R) Builder(TM)) enable the development of rich applications that run across multiple browsers and platforms. Download your free trials today! http://p.sf.net/sfu/adobe-dev2dev _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
