Hi, I have two questions regarding the reading of bonding in cif files.
I would like to load a cif file and use both the unit cell information and the bonding information from the GEOM_BOND, but I have tried several combinations of options, and can only seem to get the autobonding when the unit cell is used. Is there a simple way to achieve this? Secondly, are there any plans to support reading the bond orders from cif files? For example Materials Studio writes the bond orders into a field '_ccdc_geom_bond_type' with 'S', 'D', 'T' etc., although I realise these are conventions and not strict cif fields. Thanks, Tom ------------------------------------------------------------------------------ Introducing Performance Central, a new site from SourceForge and AppDynamics. Performance Central is your source for news, insights, analysis and resources for efficient Application Performance Management. Visit us today! http://pubads.g.doubleclick.net/gampad/clk?id=48897511&iu=/4140/ostg.clktrk _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
