On 4/18/2014 5:47 AM, Angel Herráez wrote:
Hi Pshemaktry this: spacefill ionic; print {*}.radius.all; If you want the full list of original values used, you probably need to check the source code. The Scripting Doc page has a link to an Excel table (it may be not up to date, I know there was a recent change in something related to bonding radii) at http://chemapps.stolaf.edu/jmol/docs/misc/radii.xls
Thanks! That helps.. It looks like there are some unusual discrepancies. For example:
Br(-1) 1.96 A on the xls list and 1.21 A in Jmol when read from KBr,cif file Cl(-1) 1.81 A on the xls list and 0.99 A in Jmol when read from CsCl.cif file (it shows correctly at 1.81 A from NaCl.cif file)
Any idea of what is happening? PM PS. (Can I enclose the cif files with the email?).
------------------------------------------------------------------------------ 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
_______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users