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From: Nick G. <ngr...@li...> - 2007-10-03 11:27:05
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Hi Bob et al, I would like to request 2.5 is recognised as well and interpreted as a double bond and a partial bond. I have wished for this in acylium ion formation and reactions of alkynes. All the best Nick -- WWW Pages: http://www.liv.ac.uk/Chemistrywww/Staff/greeves.html Tel: +44 (0)151-794-3506 (3500 secretary) On 3 Oct 2007, at 09:36, jmo...@li... wrote: > > bondOrder command > ----------------- > > Jmol 11.2 introduced the capability to save the state, and part of > that > turns out to be the capability to define a bond order directly for a > specific bond. The "bondorder" command was designed to do this; now > I'm > documenting it; Jmol 11.3.27 cleans up the command a bit. > > select * > bondOrder single > > really this is the same as > > connect (*) (*) modify single > > One difference is that the bondOrder command also > accepts numerical values. See > http://chemapps.stolaf.edu/jmol/docs/?ver=1.4&command=bondorder > > Another difference is that if a set of bonds are chosen first, using > > select bond ({10,11,12}) > bondOrder 1.5 > > then bondOrder acts DIRECTLY on that set of bonds. No reference to > atoms. > ({0}) is the first bond. Use at your own risk! |