On 3/11/2013 2:18 PM, Robert Hanson wrote:
Since when are they sp2 ? ;)

Since freshman chemistry covered hybridization?

I am guessing that there is no simple fix...

PM





On Mon, Mar 11, 2013 at 12:40 PM, Pshemak Maslak <p...@chem.psu.edu <mailto:p...@chem.psu.edu>> wrote:

    On 3/11/2013 12:58 PM, Robert Hanson wrote:
    Good catch, Michael. Yes, it's specifically a problem with
    "-sp3d" -- easily fixed.

    See http://chemapps.stolaf.edu/jmol/Jmol-13.zip and
    http://chemapps.stolaf.edu/jmol/jsmol.zip


    Bob

    I have lcaocartoon-related questions. For CO2 (for example) the
    sp2 lone pair lobes are shown as the sp lobes instead.  Similar
    outcome is observed for other linear molecules. Is that a general
    limitation?

    I know that the cartoons lobes can be drawn and oriented (per
    demand) using "isosurface" command, but the lonepair dots are much
    harder if one wants them to keep up with molecular rotations and
    not eclipse each other at some orientations.

    Is there a simple way to deal with these issues?

    Thanks,

    PM







    On Sun, Mar 10, 2013 at 2:19 PM, Michael Evans
    <evan...@illinois.edu <mailto:evan...@illinois.edu>> wrote:

        Jmol'ers,
        I am having trouble using lcaocartoon in a very specific
        case. If you look on this page, the antibonding orbitals
        render fine:

        http://butane.chem.illinois.edu/jsmoore/Experimental/DFE.html

        However, on this updated version of the same page using
        either JSmol or Jmol 13.0.12, the last antibonding orbitals
        (C3-H6 and C2-H8) fail to render properly.

        
http://www.metallacycle.com/lec/chem332/jmolpages/difluoroethane/?use=java

        Those last antibonding orbitals use the "-sp3d" lobe, which
        appears not to render properly no matter what I try. I even
        tried back here with no success:

        http://chemapps.stolaf.edu/jmol/docs/examples-12/new.htm

        An sp3d lobe renders fine, but nothing happens when I try
        lcaocartoon create "-sp3d". Am I missing something?

        Cheers, Mike

        ---
        Michael Evans
        Department of Chemistry
        University of Illinois, Urbana-Champaign

        
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-- Robert M. Hanson
    Larson-Anderson Professor of Chemistry
    Chair, Chemistry Department
    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



    
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Chemistry Department
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



------------------------------------------------------------------------------
Symantec Endpoint Protection 12 positioned as A LEADER in The Forrester
Wave(TM): Endpoint Security, Q1 2013 and "remains a good choice" in the
endpoint security space. For insight on selecting the right partner to
tackle endpoint security challenges, access the full report.
http://p.sf.net/sfu/symantec-dev2dev


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