> I dont really understand this limitation, why should 4=aromatic be only used > for queries, its not ambigious like the others? (maybe its a typo, and it > should be '5 though 8' ;-) ).
In general, it's not clear which bonds should be marked aromatic. > Still, I am using a software that can handle aromatic bonds in SDF. Is there > a way to achieve this with OpenBabel? A workaround might be to generate the SDF file with Open Babel, and then hack it with a Python script that checks whether a specific bond is aromatic (I assume there is an OBBond.IsAromatic method or something similar). We can look into adding this as an option to the SDF writer. - Noel ------------------------------------------------------------------------------ Simplify data backup and recovery for your virtual environment with vRanger. Installation's a snap, and flexible recovery options mean your data is safe, secure and there when you need it. Data protection magic? Nope - It's vRanger. Get your free trial download today. http://p.sf.net/sfu/quest-sfdev2dev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
