nah. very creative solution.
On Tue, May 12, 2009 at 3:02 AM, Chris Foley <[email protected]
> wrote:
> Thanks Robert,
>
> That works a brilliantly. I now feel quite stupid, especially considering
> my last line of questioning.
>
> Thanks again,
> Chris.
>
>
>
>
>
> Robert Hanson wrote:
>
> OR:
>
> load caffeine.xyz;
> spin branch {N8} {C19} 50 # CH3 starts spinning around the N8-C19 bond
>
> select connected(C19) and not N8
> rotateSelected {N8} {C19} 30 # CH3 rotates 30 degrees around that bond
>
> This second doesn't presume rotation about a bond. The two atoms, N8 and
> C19, are simply defining an axis of rotation. That could be any two atoms or
> any two points:
>
> rotateSelected {0 0 0} {1 1 1} 30
>
> or a defined axis and angle:
>
> rotateSelected axisangle {1 1 1 30}
>
> or, if an axis name is designated, make sure you use "molecular" to refer
> to the molecular axis, not the window axes.
>
> rotateSelected molecular x 30
>
> Bob
>
>
>
>
> On Mon, May 11, 2009 at 12:31 PM, Robert Hanson <[email protected]>wrote:
>
>> You tried rotateSelected?
>>
>>
>>
>>
>> On Mon, May 11, 2009 at 10:02 AM, Chris Foley <
>> [email protected]> wrote:
>>
>>> Hi Jmol users,
>>>
>>> Is it is possible to translate atoms programmatically from within a Java
>>> application? I have tried variations on the following but it does not
>>> seem to work:
>>>
>>> Point3f p = viewer.getAtomPoint3f(jmolindex);
>>> p.set(newXYZf);
>>>
>>> Tantalisingly, as the program executes I see the atoms move in Jmol and
>>> then they snap back to their original positions. I have a working Jmol
>>> script for this but because I want to translate a large number of atoms
>>> different distances the script is proving too slow.
>>>
>>> To put this strange request in context, I am trying to rotate selected
>>> atoms around a point, hence the need to "translate" the atoms
>>> individually.
>>>
>>> Thanks in advance for any help.
>>>
>>> Cheers,
>>> Chris.
>>>
>>>
>>> ------------------------------------------------------------------------------
>>> The NEW KODAK i700 Series Scanners deliver under ANY circumstances! Your
>>> production scanning environment may not be a perfect world - but thanks
>>> to
>>> Kodak, there's a perfect scanner to get the job done! With the NEW KODAK
>>> i700
>>> Series Scanner you'll get full speed at 300 dpi even with all image
>>> processing features enabled. http://p.sf.net/sfu/kodak-com
>>> _______________________________________________
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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
>>
>
>
>
> --
> 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
>
>
>
> ------------------------------------------------------------------------------
> The NEW KODAK i700 Series Scanners deliver under ANY circumstances! Your
> production scanning environment may not be a perfect world - but thanks to
> Kodak, there's a perfect scanner to get the job done! With the NEW KODAK
> i700
> Series Scanner you'll get full speed at 300 dpi even with all image
> processing features enabled. http://p.sf.net/sfu/kodak-com
> _______________________________________________
> 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
------------------------------------------------------------------------------
The NEW KODAK i700 Series Scanners deliver under ANY circumstances! Your
production scanning environment may not be a perfect world - but thanks to
Kodak, there's a perfect scanner to get the job done! With the NEW KODAK i700
Series Scanner you'll get full speed at 300 dpi even with all image
processing features enabled. http://p.sf.net/sfu/kodak-com
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