[Jmol-users] problem with pop-up in Java 6u10

2008-11-20 Thread Angel Herraez
Dear Jmol users:

-- For your information --

I have found a Java bug repainting Jmol's pop-up menu when the latest 
Java (6u10) is installed. It seems to be related  to the display 
driver/graphics card. I see it in Windows XP with any browser, only 
in my notebook but not in my desktop PC. It is absent in 6u7. It 
affects both applet and application (as well as other non-Jmol app  
applets like JChemPaint).

I've reported it to Sun Java and it is described here:
http://bugs.sun.com/bugdatabase/view_bug.do?bug_id=6773336

They shall be working on it.
If you have a similar problem (the pop-up menu has white patches 
while you hover the mouse pointer over it), you may want to follow 
that bug tracking or even to report details about your system.

Some screenshots are available at
http://www31.websamba.com/jpeg62/javaproblem/


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Re: [Jmol-users] script to move echo

2008-11-20 Thread Robert Hanson
I can see you are having great fun, Frieda,


function moveEcho
  for ( var i=0; i250; i = i + 2 )
  x = i
  y = 450 - i
  set echo myecho @x @y
  delay 0.1
  end for
end function




On Wed, Nov 19, 2008 at 6:26 PM, Frieda Reichsman [EMAIL PROTECTED] wrote:

 How would I then see the calculated values for x and y coordinates? Jmol's
 output does not show the result of the calculations.

 On Nov 19, 2008, at 4:01 PM, Robert Hanson wrote:

 function moveEcho
   for ( var i=0; i250; i = i + 2 )
   set echo myecho @i @{450-i}
   delay 0.1
   end for
 end function


 On Wed, Nov 19, 2008 at 2:52 PM, Frieda Reichsman [EMAIL PROTECTED]wrote:

 Hi,

 I am trying to move an echo diagonally across the Jmol applet using a
 function (I have created and positioned the echo at (0, 450) before
 calling the function). I want the echo to stop at (250, 200) or
 thereabouts.

 function moveEcho
   for ( var i=0; i250; i = i + 2 )
x = script(set echo myecho  i + (450 - i) + ; delay 0.1;)

   end for
 end function


 But I am getting a NaN for the second parameter, the y coord - here's
 what Jmol says back to me:

 for ( var i=0; i250; i = i + 2 )
 x = script(set echo myecho  + i +   + 450-i ; delay 0.1;)
 javascript: NaN set echo myecho 36 450
 end for

 (Note the NaN infront of set on the third line). So clearly Jmol
 does not want to subtract i from 450. Am I not allowed to use the
 variable twice in the same statement? Or am I missing something obvious?

 Frieda


 -

 Frieda Reichsman, PhD
 Senior Research Scientist
 The Concord Consortium
 http://concord.org
 25 Love Lane
 Concord, MA 01742

 Mon/Fri: 413-253-2405
 Tu/Wed/Thu: 978-405-3228
 mobile: 413-320-7449









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 --
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 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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-- 
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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[Jmol-users] draw cylinder

2008-11-20 Thread Frieda Reichsman
On Nov 20, 2008, at 9:27 AM, Robert Hanson wrote:

 I can see you are having great fun, Frieda,

Yes, I sure am! Hope to have something to show for it soon.

Meanwhile, I am trying to draw a cylinder with the following command:
draw cylinder diameter 45.0 {atomno=3198 and (nitrogen or oxygen)}
The result is a sphere. I realize I need to add a height parameter, of  
some kind, to get a cylinder but I can't seem to figure out which  
parameter it is in the documentation...

Also, just curious, could I get the diameter to be in Angstroms  
instead of pixels?
-Frieda


-

Frieda Reichsman, PhD
Senior Research Scientist
The Concord Consortium
http://concord.org
25 Love Lane
Concord, MA 01742

Mon/Fri: 413-253-2405
Tu/Wed/Thu: 978-405-3228
mobile: 413-320-7449









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Re: [Jmol-users] draw cylinder

2008-11-20 Thread Rolf Huehne
Frieda Reichsman wrote:
 On Nov 20, 2008, at 9:27 AM, Robert Hanson wrote:
 
 I can see you are having great fun, Frieda,
 
 Yes, I sure am! Hope to have something to show for it soon.
 
 Meanwhile, I am trying to draw a cylinder with the following command:
 draw cylinder diameter 45.0 {atomno=3198 and (nitrogen or oxygen)}
 The result is a sphere. I realize I need to add a height parameter, of  
 some kind, to get a cylinder but I can't seem to figure out which  
 parameter it is in the documentation...
 
I think it is similar as for a line. You will need 2 points that are the
center of the 2 circles that build the cylinder. It should be something
like:

draw cylinder diameter 45.0 {atomno=3198} {atomno=3199}

 Also, just curious, could I get the diameter to be in Angstroms  
 instead of pixels?

I think that the decimal value that you use is already in Angstrom
because it is scaled with zoom.

Regards,
Rolf

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Re: [Jmol-users] script to move echo

2008-11-20 Thread Frieda Reichsman
On Wed, Nov 19, 2008 at 6:26 PM, Frieda Reichsman wrote:

 How would I then see the calculated values for x and y coordinates?  
 Jmol's output does not show the result of the calculations.

On Nov 20, 2008, at 9:27 AM, Robert Hanson wrote:

 function moveEcho
   for ( var i=0; i250; i = i + 2 )
   x = i
   y = 450 - i
   set echo myecho @x @y
   delay 0.1
   end for
 end function

Using the above, I do not see the calculated values in the Jmol  
console... I get the following output in the console (repeated of  
course):

for ( var i=0; i250; i = i + 2 )
x = i
y = 450 - i
set echo myecho @x @y
delay 0.1
end for

Also, the movement of the echo slows greatly when an isosurface is  
present. Is this a bug, or an inevitability?

Frieda



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Re: [Jmol-users] script to move echo

2008-11-20 Thread Rolf Huehne
Frieda Reichsman wrote:
 On Wed, Nov 19, 2008 at 6:26 PM, Frieda Reichsman wrote:
 
 How would I then see the calculated values for x and y coordinates?  
 Jmol's output does not show the result of the calculations.
 
 On Nov 20, 2008, at 9:27 AM, Robert Hanson wrote:
 
 function moveEcho
   for ( var i=0; i250; i = i + 2 )
   x = i
   y = 450 - i
   set echo myecho @x @y
   delay 0.1
   end for
 end function
 
 Using the above, I do not see the calculated values in the Jmol  
 console... I get the following output in the console (repeated of  
 course):
 
If you want to see the values, add a print command within your loop:

  print x= + x +  y= + y;

Regards,
Rolf

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Re: [Jmol-users] draw cylinder

2008-11-20 Thread Frieda Reichsman
Works - fantastic! Thanks.

On Nov 20, 2008, at 11:21 AM, Rolf Huehne wrote:

 Frieda Reichsman wrote:
 On Nov 20, 2008, at 9:27 AM, Robert Hanson wrote:

 I can see you are having great fun, Frieda,

 Yes, I sure am! Hope to have something to show for it soon.

 Meanwhile, I am trying to draw a cylinder with the following command:
 draw cylinder diameter 45.0 {atomno=3198 and (nitrogen or oxygen)}
 The result is a sphere. I realize I need to add a height parameter,  
 of
 some kind, to get a cylinder but I can't seem to figure out which
 parameter it is in the documentation...

 I think it is similar as for a line. You will need 2 points that are  
 the
 center of the 2 circles that build the cylinder. It should be  
 something
 like:

 draw cylinder diameter 45.0 {atomno=3198} {atomno=3199}

 Also, just curious, could I get the diameter to be in Angstroms
 instead of pixels?

 I think that the decimal value that you use is already in Angstrom
 because it is scaled with zoom.

 Regards,
 Rolf

 -
 This SF.Net email is sponsored by the Moblin Your Move Developer's  
 challenge
 Build the coolest Linux based applications with Moblin SDK  win  
 great prizes
 Grand prize is a trip for two to an Open Source event anywhere in  
 the world
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Re: [Jmol-users] draw cylinder

2008-11-20 Thread Robert Hanson
what you need are two ends, not one.

On Thu, Nov 20, 2008 at 10:04 AM, Frieda Reichsman [EMAIL PROTECTED]wrote:

 On Nov 20, 2008, at 9:27 AM, Robert Hanson wrote:

  I can see you are having great fun, Frieda,

 Yes, I sure am! Hope to have something to show for it soon.

 Meanwhile, I am trying to draw a cylinder with the following command:
 draw cylinder diameter 45.0 {atomno=3198 and (nitrogen or oxygen)}
 The result is a sphere. I realize I need to add a height parameter, of
 some kind, to get a cylinder but I can't seem to figure out which
 parameter it is in the documentation...

 Also, just curious, could I get the diameter to be in Angstroms
 instead of pixels?
 -Frieda


 -

 Frieda Reichsman, PhD
 Senior Research Scientist
 The Concord Consortium
 http://concord.org
 25 Love Lane
 Concord, MA 01742

 Mon/Fri: 413-253-2405
 Tu/Wed/Thu: 978-405-3228
 mobile: 413-320-7449









 -
 This SF.Net email is sponsored by the Moblin Your Move Developer's
 challenge
 Build the coolest Linux based applications with Moblin SDK  win great
 prizes
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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
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Re: [Jmol-users] stateinfo and transparency of mep

2008-11-20 Thread Xavier Prat-Resina
Thanks for the fix Bob!
Now (revision 10348) the stateinfo contains the transparency but I can see
that the VDW surface
has some colorless spots. Would it be possible to fix that?
Thanks again

Xavier

On Wed, Nov 19, 2008 at 5:23 PM, Robert Hanson [EMAIL PROTECTED] wrote:

 it's a bug. I'll fix it tonight.

 On Wed, Nov 19, 2008 at 2:24 PM, Xavier Prat-Resina [EMAIL PROTECTED]wrote:

 Dear jmol users,

 I'm trying to open a new jmol window copying the old state using
 stateinfo.
 Everything works fine with only one exception: the transparency of a
 solvent
 mep isosurface.
 Here's an example:
 http://144.92.39.89/~xavier/web/openstate/http://144.92.39.89/%7Exavier/web/openstate/
 when I click on the new window the state has no information about the
 transparency
 and the isosurface is opaque. I might be doing something wrong but I can't
 figure out what.

 By the way, if you try this with Mac/Firefox it doesn't work. There appear
 some NaN
 numbers in _setModelState that make the whole script fail. Has anyone seen
 something like that
 before?

 Thanks!

 Xavier

 --
 Xavier Prat-Resina
 Research Associate
 Journal of Chemical Education and University of Wisconsin
 209 N. Brooks St. Madison, WI  53715-1116

 Tel: 608 8901702 // Fax: 608 2627145
 e-mail: xavier ( ) chem.wisc.edu ; skype: xavierprat
 http://x.prat.resina.googlepages.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

 -
 This SF.Net email is sponsored by the Moblin Your Move Developer's
 challenge
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-- 
Xavier Prat-Resina
Research Associate
Journal of Chemical Education and University of Wisconsin
209 N. Brooks St. Madison, WI  53715-1116

Tel: 608 8901702 // Fax: 608 2627145
e-mail: xavier ( ) chem.wisc.edu ; skype: xavierprat
http://x.prat.resina.googlepages.com
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[Jmol-users] Hydrogen Bonds up on Motivated Proteins

2008-11-20 Thread David Leader
Just a line to say that I've now traced the tortuous path from SQL,  
java servlet, Perl CGI, javascript, to Jmol scripting language and  
have my web application, Motivated Proteins ( http://motif.gla.ac.uk/ 
motif/index.html), showing the HBPlus Hydrogen Bonds from our dbase  
in the 3D - Single Motif Display of search results. Thanks for the  
help with the last link in the chain.

David

PS Comments and feedback welcome.

___

Dr. David P. Leader, Faculty of Biomedical  Life Sciences,
University of Glasgow, Glasgow G12 8QQ, UK
Phone: +44 (0)141 330 5905
http://doolittle.ibls.gla.ac.uk/leader

The University of Glasgow, charity number SC004401
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Re: [Jmol-users] jmol doesn't work with openjdk in Debian

2008-11-20 Thread Ondrej Certik
On Tue, Nov 18, 2008 at 10:54 PM, Angel Herráez [EMAIL PROTECTED] wrote:
 Hi Ondrej

 The applets at
 http://jmol.sourceforge.net/scripting/
 are simpler than those in the 'atoms' demo page (they are inserted directly, 
 without using
 Jmol.js and they also have the mayscript tag).
 So you can use that page for tests and for reporting back to the openjdk 
 people.

 However, they may not be cross-browser-optimized as Jmol.js applets are 
 (basically, the
 use of applet, object or embed tags for inserting the applet; I'm not sure if 
 that would make a
 difference in your case).

Wow, all those applets work perfectly in my browser.  So the problem
seems related to some communication between the applet and javascript,
right?

I haven't yet tried a different browser.

So I'll report using the jmol demo pages as an example that doesn't
work. But if they say that it is a problem in your applets, I'll get
stuck again. :)

Ondrej
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