> This is actually a pretty bad thing. But it may not be that easy to fix, and > would result in a major change to the SMILES that OpenBabel produces (very > unfortunate, as it requires large databases to be completely > re-canonicalized).
As far as I can tell, the code is still there.. As far as the different canonicalization, we had a variety of bugs in the canonicalization going from 2.2 -> 2.3. I agree, it's not present, but I think it's an important bug to fix soon and will be part of the 2.4.0 release. -Geoff ------------------------------------------------------------------------------ Android apps run on BlackBerry 10 Introducing the new BlackBerry 10.2.1 Runtime for Android apps. Now with support for Jelly Bean, Bluetooth, Mapview and more. Get your Android app in front of a whole new audience. Start now. http://pubads.g.doubleclick.net/gampad/clk?id=124407151&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
