Ok.

Thank you for your quick answer.

Yves

Le 18/03/2011 13:24, Robert Hanson a écrit :
Great catch. would fail for any first atom of any model. Fixed for Jmol 12.0.37 and 12.1.40

On Fri, Mar 18, 2011 at 6:22 AM, Yves NOEL <[email protected] <mailto:[email protected]>> wrote:

    Dear all,

    I have performed the following with Jmol 12.1.33
    (with both applet and application)

    in the console when I type :
    p=({1});print within(0.01,p.xyz)
    the answer is:
    ({1})

    But when I type :
    p=({0});print within(0.01,p.xyz)
    the answer is :
    ({})
    THIS IS WRONG!

    As the second argument of within can be directly an atom expression I
    have tried:
    p=({0});print within(0.01,p)
      and the answer is :
    ({0})
    This is correct.

    I have tried the same commands with the only "old" version of Jmol
    stored on my computer: Jmol 11.9.35
    THERE IS NO PROBLEM WITH THIS OLD VERSION.

    Of course I do not use exactly these commands in my scripts. This is
    only to focus on the problem I have encountered.

    Is this a bug or am I wrong?

    Regards,


    Yves NOEL

    
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107


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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