Xavier Prat-Resina wrote: >Jmol-users, > >Is there a way to tell Jmol to calculate automagically the >multiple bonds and showing the corresponding lone pair lobes? >(my molecule files lack the multiple bond information) >As far as I know those two properties are not related in Jmol. > >I've been using "connect aromatic modify;calculate aromatic" >for double bonds, but then I have to add the lone pairs manually >and accordingly. > > no, no lone pairs. You will have to add those yourself.
>Is there a way to do that with triple bonds by the way? e.g. N2 > > > no >For example. >in CO3(2-) there is (in the most stable resonance form) one >double bond C=O and two single bonds. So the number of >lone pairs is different in different oxygens. > > > you will have to place them yourself. >Thanks > >Xavier > > > -- Robert M. Hanson Professor of Chemistry St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------- This SF.net email is sponsored by the 2008 JavaOne(SM) Conference Register now and save $200. Hurry, offer ends at 11:59 p.m., Monday, April 7! Use priority code J8TLD2. http://ad.doubleclick.net/clk;198757673;13503038;p?http://java.sun.com/javaone _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
