actually, there's no bug (for H2O). The documentation was wrong. The command you want is
select (atomno=3) lcaocartoon create "lpa" lcaocartoon create "lpb" for ammonia, it should be lcaocartoon create "lp", but I see that is not working and IS a bug. I'll look into it. If the smoothness of the lobe is not sufficient, use something like the following instead, with the isosurface command: isosurface resolution 15 lcaocartoon "sp3" (atomno=4) Bob David Kim wrote: > Idealy I would want them to be a tear-shaped lobe with two dots > within. If that is not possible then I think that a tear-shaped lobe > would be best for the purposes of visualizing molecular structure. Thanks. > > On 6/9/07, *Bob Hanson* <[EMAIL PROTECTED] > <mailto:[EMAIL PROTECTED]>> wrote: > > yes, so what do you want the lone pair to look like? two dots? a > tear-shaped lobe? etc. > > > David Kim wrote: > > > For example, in a molecule of H2O we know that the tetrahedral > > structure is caused by the interaction of the lone pairs and the > two > > hydrogen molecules. I would like to be able to view the lone > pairs so > > that I could visually show why water takes on the bent shape. Is it > > kind of clear what I am going for? If not feel free to email me > again. > > Thanks for all your help. > > > > On 6/9/07, *Bob Hanson* <[EMAIL PROTECTED] > <mailto:[EMAIL PROTECTED]> > > <mailto:[EMAIL PROTECTED] <mailto:[EMAIL PROTECTED]>>> wrote: > > > > What's your definition of a "lone pair" ? > > > > David Kim wrote: > > > > > I was wondering if it is possible to display lone pairs in > Jmol > > If so, > > > how would I switch between having them on and off? Thanks in > > advance. > > > > > > David Kim > > > > > > >------------------------------------------------------------------------ > > > > > > > >------------------------------------------------------------------------- > > >This SF.net email is sponsored by DB2 Express > > >Download DB2 Express C - the FREE version of DB2 express > and take > > >control of your XML. No limits. Just data. Click to get it now. > > > http://sourceforge.net/powerbar/db2/ > > > > > > >------------------------------------------------------------------------ > > > > > > >_______________________________________________ > > >Jmol-developers mailing list > > >[email protected] > <mailto:[email protected]> > > <mailto:[email protected] > <mailto:[email protected]>> > > > >https://lists.sourceforge.net/lists/listinfo/jmol-developers > <https://lists.sourceforge.net/lists/listinfo/jmol-developers> > > <https://lists.sourceforge.net/lists/listinfo/jmol-developers> > > > > > > > > > > > > -- > > 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 DB2 Express > > Download DB2 Express C - the FREE version of DB2 express and > take > > control of your XML. No limits. Just data. Click to get it now. > > http://sourceforge.net/powerbar/db2/ > > _______________________________________________ > > Jmol-developers mailing list > > [email protected] > <mailto:[email protected]> > > <mailto: [email protected] > <mailto:[email protected]>> > > https://lists.sourceforge.net/lists/listinfo/jmol-developers > > > > > >------------------------------------------------------------------------ > > > > >------------------------------------------------------------------------- > >This SF.net email is sponsored by DB2 Express > >Download DB2 Express C - the FREE version of DB2 express and take > >control of your XML. No limits. Just data. Click to get it now. > >http://sourceforge.net/powerbar/db2/ > > > >------------------------------------------------------------------------ > > > >_______________________________________________ > >Jmol-developers mailing list > >[email protected] > <mailto:[email protected]> > >https://lists.sourceforge.net/lists/listinfo/jmol-developers > <https://lists.sourceforge.net/lists/listinfo/jmol-developers> > > > > > > > ------------------------------------------------------------------------- > This SF.net email is sponsored by DB2 Express > Download DB2 Express C - the FREE version of DB2 express and take > control of your XML. No limits. Just data. Click to get it now. > http://sourceforge.net/powerbar/db2/ > _______________________________________________ > Jmol-developers mailing list > [email protected] > <mailto:[email protected]> > https://lists.sourceforge.net/lists/listinfo/jmol-developers > <https://lists.sourceforge.net/lists/listinfo/jmol-developers> > > >------------------------------------------------------------------------ > >------------------------------------------------------------------------- >This SF.net email is sponsored by DB2 Express >Download DB2 Express C - the FREE version of DB2 express and take >control of your XML. No limits. Just data. Click to get it now. >http://sourceforge.net/powerbar/db2/ > >------------------------------------------------------------------------ > >_______________________________________________ >Jmol-developers mailing list >[email protected] >https://lists.sourceforge.net/lists/listinfo/jmol-developers > > ------------------------------------------------------------------------- This SF.net email is sponsored by DB2 Express Download DB2 Express C - the FREE version of DB2 express and take control of your XML. No limits. Just data. Click to get it now. http://sourceforge.net/powerbar/db2/ _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
