Hello, Does anybody have an example of how to (a) label and (b) colour atoms by mulliken charges read from an input file (in this case .castep)? Perhaps I am being a bit dim today, but I have just spent 15 minutes trying to figure this out without success. The documentation is not helping -
label %[mulliken] looked a good guess, but that just priints the word "mulliken". I guess there is some property name I am missing. sincerely Keith Refson ------------------------------------------------------------------------------ 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
