Hi Keiith The square bracket syntax only works with predefined properties, not the case with those Mulliken charges. So it will depend on how the Castep reader digests those data.
Have you tried %[partialCharge] ? Otherwwise, maybe the route is to assign those data to a Jmol variable and then try to put this into the label or color command (I'm not sure about that possibility) The sample castep files at http://jmol.svn.sourceforge.net/viewvc/jmol/trunk/Jmol-datafiles/castep/ do not seem to have charge data ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
