Thank you ! I got what I was looking for.
Just a comment... when I typed
x = script("show minimization")
nothing actually happened at the script console. On the other hand,
at the Jmol console I got :
Queue[0][1] scripts; running: x = script("show minimization")##
EDITOR_IGNORE ##
-->>-0 null null null
-->>-------------1 null null org.jmol.script.ScriptContext@7c6c2896
--<<-------------0 null null
I am not sure what happened but then I just typed : show minimization and
voila.
Thanks again.
On Sat, Jun 11, 2011 at 12:47 AM, Robert Hanson <[email protected]> wrote:
> set loglevel 6
> minimize steps 0
> x = script("show minimization")
> set debug off
>
> I'll get that in the documentation.
>
>
> On Fri, Jun 10, 2011 at 3:45 PM, jenheta da silva <[email protected]>wrote:
>
>> Hi,
>>
>> I am new to Jmol so please bear with me.
>>
>> After loading a xyz structure (caffeine, just to learn the basics), I
>> would like to print some specific data after a minimization procedure. It
>> seems that Jmol can output angle bending, bond stretching, torsions, etc.
>> from UFF depending upon a flag (option ?) called iType as found in
>>
>> org.jmol.minimize.forcefield (
>> http://java2s.com/Open-Source/Java-Document/Science/jmol-12.0/org/jmol/minimize/forcefield/CalculationsUFF.java.htm
>> )
>> at the end, where getDebugHeader is defined.
>>
>> I ingenuously tried "set debug" at the console in hope of getting this
>> information but no luck.
>>
>> If someone can shed some light, it will be deeply appreciated.
>>
>> Thank you,
>>
>> Jen.
>>
>>
>>
>>
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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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