Re: [Jmol-users] Errors upgrading to Jmol 11.6.13 from Jmol 11.5.51

2009-01-21 Thread Nicolas Vervelle
I usually release the Jmol versions on sourceforge but I am currently out of
town.
I will probably be able to make the releases on sourceforge by the end of
the week.

Nico

On Wed, Jan 21, 2009 at 7:23 AM, lspri...@weizmann.ac.il wrote:

 According to Robert Hanson hans...@stolaf.edu:
  I found both problems and have corrected them for Jmol 11.6.14 and Jmol
 11.7.22.
  Bob

 Great. Can you please update the sourceforge.net download page or
 provide an alternative download URL?

 Thanks again,
 Jaim

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Re: [Jmol-users] Errors upgrading to Jmol 11.6.13 from Jmol 11.5.51

2009-01-21 Thread Eran Hodis
Ok great! Thanks.
Eran

On Wed, Jan 21, 2009 at 11:42 AM, Nicolas Vervelle nverve...@gmail.comwrote:

 I usually release the Jmol versions on sourceforge but I am currently out
 of town.
 I will probably be able to make the releases on sourceforge by the end of
 the week.

 Nico


 On Wed, Jan 21, 2009 at 7:23 AM, lspri...@weizmann.ac.il wrote:

 According to Robert Hanson hans...@stolaf.edu:
  I found both problems and have corrected them for Jmol 11.6.14 and Jmol
 11.7.22.
  Bob

 Great. Can you please update the sourceforge.net download page or
 provide an alternative download URL?

 Thanks again,
 Jaim




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[Jmol-users] How to translate by angstroms

2009-01-21 Thread Eran Hodis
Does anyone know how to translate (in either the x or the y axis) by a
specific number of Angstroms?  Also is it possible to zoom in/out by a
specific number of Angstroms?
Thanks,
Eran
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Re: [Jmol-users] How to translate by angstroms

2009-01-21 Thread Angel Herraez
Hi Eran

Translation should be possible using move, if I remember correctly.
Not sure about zoom; I think it only works in percent.



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Re: [Jmol-users] How to translate by angstroms

2009-01-21 Thread Eran Hodis
Hi Angel,
Thanks for the suggestion. I gave it a try, but the translation in the
move command also functions via percent as far as I could tell (I gave it
a translation of 50 in y, and it moves 50% of the molecule off of the
screen.  100% moves 100% off of the screen.)

I need a way to translate/zoom using angstroms -- or else a way to convert
between angstroms and Jmol percentages which I could do on my own.

Thanks,
Eran

On Wed, Jan 21, 2009 at 5:27 PM, Angel Herraez angel.herr...@uah.es wrote:

 Hi Eran

 Translation should be possible using move, if I remember correctly.
 Not sure about zoom; I think it only works in percent.




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Re: [Jmol-users] How to translate by angstroms

2009-01-21 Thread Robert Hanson
Eran, the zoom is by percent, where 100% is the distance of the edge
of a cube containing the entire model. So zoom 100% allows full
rotation of the model within the window (provided you also SET
ZOOMLARGE FALSE) And 50% gets you twice the width as zoom 100%. These
dimensions can be determined by looking at

$ getproperty boundboxinfo

boundboxinfo
center  {10.5935 10.2105 6.0790005}
vector  {13.6905 10.7265005 13.500999}
corner1 {24.284 20.937 19.58}
corner0 {-3.0970001 -0.51600075 -7.4219995}

or, for example:

$ x=getproperty(boundboxinfo,corner1)
$ print x
{24.284 20.937 19.58}

var x = show(boundbox)


On Wed, Jan 21, 2009 at 7:56 AM, Eran Hodis eranho...@gmail.com wrote:
 Does anyone know how to translate (in either the x or the y axis) by a
 specific number of Angstroms?  Also is it possible to zoom in/out by a
 specific number of Angstroms?

It's not exactly clear how that would work with translation, as the
front part is generally at a different scale than the back part, but
perhaps it could be defined in terms of the center. That's an idea.

translate x 0.3 [nm|angstroms]

 Thanks,
 Eran
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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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Re: [Jmol-users] How to translate by angstroms

2009-01-21 Thread Robert Hanson
Jmol 11.7.22 has a new option for translate:

translate x|y|z   x.x   nm|angstroms

translate x 2.5 nm
translate y 25 angstroms
translate z 1.0 ang

(only the first character, n or a, is recognized)

For x and y the result is to move the model that many angstroms or
nanometers. For z the result is to change the zoom such that the width
of the display at model center is (approximately) that many angstroms
less -- resulting in the illusion of zoom by that many angstroms. (I
think...you tell me!)

Maximum values are +/-100 units

For now, uploaded to http://chemapps.stolaf.edu/jmol/docs/examples-11

see

http://chemapps.stolaf.edu/jmol/docs/examples-11/Jmol-11.jar





Bob






On Wed, Jan 21, 2009 at 2:52 PM, Robert Hanson hans...@stolaf.edu wrote:
 Eran, the zoom is by percent, where 100% is the distance of the edge
 of a cube containing the entire model. So zoom 100% allows full
 rotation of the model within the window (provided you also SET
 ZOOMLARGE FALSE) And 50% gets you twice the width as zoom 100%. These
 dimensions can be determined by looking at

 $ getproperty boundboxinfo

 boundboxinfo
 center  {10.5935 10.2105 6.0790005}
 vector  {13.6905 10.7265005 13.500999}
 corner1 {24.284 20.937 19.58}
 corner0 {-3.0970001 -0.51600075 -7.4219995}

 or, for example:

 $ x=getproperty(boundboxinfo,corner1)
 $ print x
 {24.284 20.937 19.58}

 var x = show(boundbox)


 On Wed, Jan 21, 2009 at 7:56 AM, Eran Hodis eranho...@gmail.com wrote:
 Does anyone know how to translate (in either the x or the y axis) by a
 specific number of Angstroms?  Also is it possible to zoom in/out by a
 specific number of Angstroms?

 It's not exactly clear how that would work with translation, as the
 front part is generally at a different scale than the back part, but
 perhaps it could be defined in terms of the center. That's an idea.

 translate x 0.3 [nm|angstroms]

 Thanks,
 Eran
 --
 This SF.net email is sponsored by:
 SourcForge Community
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 Jmol-users@lists.sourceforge.net
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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

--
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