ah, ok. I see. Hard to believe this is going to be useful, considering the
degrees of freedom. How do you figure it will be used?
On Thu, Apr 30, 2009 at 9:26 AM, Chris Foley <[email protected]
> wrote:
> I'm afraid not. It appeared to work when the water molecule was selected.
> But all the atoms of HOH were selected. When I tried selecting a methyl
> group (select c13,h16,h17,h18) the whole caffeine molecule was rotated.
>
> In case it helps, I used Windows XP, Sun Java plugin 1.6.0_13 on Internet
> Explorer.
>
> Cheers,
> Chris.
>
>
>
>
>
> Robert Hanson wrote:
>
> Did it work at http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm
>
> # 30?
>
>
> On Thu, Apr 30, 2009 at 5:54 AM, Chris Foley <
> [email protected]> wrote:
>
>> Thanks for the reply Robert. I downloaded 11.7.33 but unfortunately I
>> can't get the rotation to work. I can translate the atoms as you describe
>> but can't rotate them.
>>
>> Also, is it possible to change the point the atoms rotate around? The kind
>> of thing I want to do is rotate a group around the atom it is attached to.
>>
>> Thanks again,
>> Chris.
>>
>>
>>
>>
>> Robert Hanson wrote:
>>
>> It's in there, at least for Jmol 11.7. See
>> http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm
>>
>> 30. selective atom rotation and translation
>>
>> # Using set dragSelected in Jmol 11.7.25 you can move selected atoms
>> around, translating them with ALT-SHIFT-LEFT mouse and rotating them around
>> their geometric center using ALT-LEFT or CTRL-ALT-RIGHT. Selection halos are
>> automatically turned on during mouse-drag actions. (Still a few bugs
>> there....)
>>
>> load caffeine.xyz;load append water.xyz;frame 0;select 2.1;selectionHalos
>> on
>> set dragSelected !dragSelected
>>
>>
>> On Wed, Apr 29, 2009 at 9:16 AM, Chris Foley <
>> [email protected]> wrote:
>>
>>> Hi Jmol users,
>>>
>>> I would like to be rotate the selected atoms with the mouse.
>>>
>>> The rotateSelected command is almost perfect... but only works via
>>> scripting, not mouse interaction.
>>>
>>> The "allowrotateselected = true" setting is also close but rotates the
>>> entire molecule, not just the selected atoms.
>>>
>>>
>>> I was wondering (hoping) if I've missed something that would let me set
>>> this up quickly and easily. If not, no worries. I can write a small Java
>>> application that will do the job.
>>>
>>> Cheers,
>>> Chris Foley.
>>>
>>>
>>> ------------------------------------------------------------------------------
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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
>>
>>
>>
>> ------------------------------------------------------------------------------
>> Register Now & Save for Velocity, the Web Performance & Operations
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>> leaders in dedicated Performance & Operations tracks. Use code vel09scf
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>> _______________________________________________
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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
>
>
>
> ------------------------------------------------------------------------------
> Register Now & Save for Velocity, the Web Performance & Operations
> Conference from O'Reilly Media. Velocity features a full day of
> expert-led, hands-on workshops and two days of sessions from industry
> leaders in dedicated Performance & Operations tracks. Use code vel09scf
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> _______________________________________________
> Jmol-users mailing list
> [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
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