that sounds right. And then when you say:
print x
you get the value that you just stored in the x variable.
On Mon, Jun 13, 2011 at 3:03 PM, jenheta da silva <[email protected]> wrote:
> 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
>>
>>
>> ------------------------------------------------------------------------------
>> EditLive Enterprise is the world's most technically advanced content
>> authoring tool. Experience the power of Track Changes, Inline Image
>> Editing and ensure content is compliant with Accessibility Checking.
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>> _______________________________________________
>> Jmol-users mailing list
>> [email protected]
>> https://lists.sourceforge.net/lists/listinfo/jmol-users
>>
>>
>
>
> ------------------------------------------------------------------------------
> EditLive Enterprise is the world's most technically advanced content
> authoring tool. Experience the power of Track Changes, Inline Image
> Editing and ensure content is compliant with Accessibility Checking.
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> _______________________________________________
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> [email protected]
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
--
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
------------------------------------------------------------------------------
EditLive Enterprise is the world's most technically advanced content
authoring tool. Experience the power of Track Changes, Inline Image
Editing and ensure content is compliant with Accessibility Checking.
http://p.sf.net/sfu/ephox-dev2dev
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