I guess for AX3E (ammonia) then lone pair is lcaocartoon create "sp3"
but I still like the idea of lcaocartoon create "lp" and will create that as well now. Bob Bob Hanson wrote: > 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
