Is there a way to automatically convert undefined double bond stereo to trans? This is for display purposes only as undefined double bonds (C=C) will be displayed in the used tool as crossed double bond, eg like an X but users prefer to see them displayed as trans.
Is there a chemically intelligent function do do this automatically? (the only way I got this to work is a regex replace of double bond type in an sd-file and I'm not sure it works on all cases correctly...) -- View this message in context: http://forums.openbabel.org/Convert-double-bond-type-tp4657500.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Learn Graph Databases - Download FREE O'Reilly Book "Graph Databases" is the definitive new guide to graph databases and their applications. Written by three acclaimed leaders in the field, this first edition is now available. Download your free book today! http://p.sf.net/sfu/NeoTech _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
