load nacl.mol
{_Na}.formalcharge = 1
{_Cl}.formalcharge = -1
isosurface ionic
The Spartan reader does not assign formal charges, and you need those for
"ionic"
Bob
On Tue, Feb 11, 2014 at 9:30 AM, Alexander Rose <alexander.r...@weirdbyte.de
> wrote:
> Hi,
>
> there is an "IONIC radius" option for the isosurface comand, have you
> tried that?
>
> http://chemapps.stolaf.edu/jmol/docs/#isosurface
>
>
> Alex
>
> ----- Ursprüngliche Mail -----
> > Von: "Pshemak Maslak" <n...@psu.edu>
> > An: jmol-users@lists.sourceforge.net
> > Gesendet: Dienstag, 11. Februar 2014 16:19:44
> > Betreff: [Jmol-users] MEP questions
> >
> >
> > I have visualized MEP for NaCl (molecule) in Spartan and in Jmol). In
> > Spartan, I see MEP mapped on a density surface that correspond to the
> > expectation of ionic sizes (Na+ small, Cl- big). In Jmol, MEP is
> > mapped
> > on what appears to be a molecular surface matching atomic sizes (Na
> > big,
> > Cl small).
> >
> > 1. Can I reproduce the Spartan surface in Jmol? If so, how?
> >
> > 2. can I read the surface from the spartan file? If so, how?
> >
> > Thanks,
> >
> > PM
> >
> >
> ------------------------------------------------------------------------------
> > Android apps run on BlackBerry 10
> > Introducing the new BlackBerry 10.2.1 Runtime for Android apps.
> > Now with support for Jelly Bean, Bluetooth, Mapview and more.
> > Get your Android app in front of a whole new audience. Start now.
> >
> http://pubads.g.doubleclick.net/gampad/clk?id=124407151&iu=/4140/ostg.clktrk
> > _______________________________________________
> > Jmol-users mailing list
> > Jmol-users@lists.sourceforge.net
> > https://lists.sourceforge.net/lists/listinfo/jmol-users
> >
>
>
> ------------------------------------------------------------------------------
> Android apps run on BlackBerry 10
> Introducing the new BlackBerry 10.2.1 Runtime for Android apps.
> Now with support for Jelly Bean, Bluetooth, Mapview and more.
> Get your Android app in front of a whole new audience. Start now.
>
> http://pubads.g.doubleclick.net/gampad/clk?id=124407151&iu=/4140/ostg.clktrk
> _______________________________________________
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
--
Robert M. Hanson
Larson-Anderson 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
------------------------------------------------------------------------------
Android apps run on BlackBerry 10
Introducing the new BlackBerry 10.2.1 Runtime for Android apps.
Now with support for Jelly Bean, Bluetooth, Mapview and more.
Get your Android app in front of a whole new audience. Start now.
http://pubads.g.doubleclick.net/gampad/clk?id=124407151&iu=/4140/ostg.clktrk
_______________________________________________
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users
