[Jmol-users] Jmol 13.0.1 connect_atoms error

2013-09-16 Thread Jaime Prilusky
Is this structure not longer valid? We have several scripts using it in the 
past and things were Ok.

Today, running on Jmol 13.0.1 it returns parsing error. Does it works Ok on 
previous versions of Jmol? On newer versions?

Jaim

data connect;
  connect_atoms
91  198040960.4 -2.501  hbond;
1705187240960.4 -2.974  hbond;
1722185340960.4 -2.543  hbond;
end connect_atoms;


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Re: [Jmol-users] Problem with Jmol export to web?

2013-09-16 Thread Cox, Arthur G.
Unfortunately it looks like even if the model is loaded from disk (rather than 
database) that E2W does not work. No error message shows up, and right-clicking 
in the applet window gives the message 0.0: in the model 1/1 submenu. I think 
this indicates that no model was loaded.

Too bad. It was a nice, easy way to get students started making web pages 
without html or javascript.

Thanks
-Art


-Original Message-
From: Angel Herráez [mailto:angel.herr...@uah.es] 
Sent: Wednesday, September 11, 2013 3:58 AM
To: jmol-users@lists.sourceforge.net
Subject: Re: [Jmol-users] Problem with Jmol export to web?

Export to web should work fine, it uses Java Jmol and Jmol.js I hav had no 
problems with it in a couple of courses with several people.
Although using a sample page is an option, it requires users to know a bit 
about html and javascript to modify. I have found that E2W is an easy starting 
point for general users. So I advise do not get away from it -- just find out 
the one or two situations where the user does not get a working page:
1- Using Jmol.jar extracted from the distribution zip without having extracted 
all the other files too.
2- Loading a structure from database.
3- Providing incorrect paths for Jmol files in the dialog.

·
 Dr. Angel Herráez
 Biochemistry and Molecular Biology,
 Dept. of Systems Biology, University of Alcalá
 E-28871 Alcalá de Henares  (Madrid), Spain


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[Jmol-users] (no subject)

2013-09-16 Thread pino.stricc...@libero.it
Hi Friends, i am trying to format the page http://pinostriccoli.altervista.org/?
p=6434
and i want the molecule floating to the left so that written text gos to its 
right. 
I found jmol.setAppletCss. Where should I insert the script and what can be 
the exat sintax?
thanks  
Pino

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Re: [Jmol-users] (no subject)

2013-09-16 Thread Robert Hanson
The jQuery way to do that would be somethng like this:


$(#jmolApplet0_appletinfotablediv).css({top:5px,left:400px})

where jmolApplet0 is the name of my applet.

Bob



On Mon, Sep 16, 2013 at 4:12 PM, pino.stricc...@libero.it 
pino.stricc...@libero.it wrote:

 Hi Friends, i am trying to format the page
 http://pinostriccoli.altervista.org/?
 p=6434
 and i want the molecule floating to the left so that written text gos to
 its
 right.
 I found jmol.setAppletCss. Where should I insert the script and what can be
 the exat sintax?
 thanks
 Pino


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[Jmol-users] jsmol -- local file reading/drag drop and local file writing

2013-09-16 Thread Robert Hanson
OK.

I have uploaded changes to Jmol that allow JSmol/HTML5 to read and write
files to a local drive.

Whew! That was tricky -- text, binary, zip, gzip, pngj, xml -- I checked as
many as I could find. Please test on a variety of platforms:

http://chemapps.stolaf.edu/jmol/zip/jmol-13.3.6_2013.09.16.zip

top center column -- local file read write

Bob

___JmolVersion=13.3.6_dev_2013.09.16

bug fix: chains improperly selected in JSmol/HTML5
bug fix: JSmol/HTML5 not allowing drag-drop or file loading from a local
drive.
bug fix: JSmol/HTML5 not allowing WRITE FILE ?

bug fix: platformSpeed persists but appears unreadable after loading a
state
bug fix: JavaScript version InputStreamReader not processing non-UTF data
correctly
bug fix: second reading of older PNG files with embedded script fails
 due to improper png file caching

new feature: set drawFontSize // defaults to 14.0




-- 
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


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] jsmol -- local file reading/drag drop and local file writing

2013-09-16 Thread Robert Hanson
That's also now in place at http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm

If you have trouble, clear your cache and try again. I had to do that to
get Firefox to move to the latest upload.

Uploading of local files:

 load ?  # displays a dialog over the applet
 x = load(?)   # allows moving file data straight into a variable
instead of loading it as a model.

Downloading to the local drive:

 write FILE ?  # the original file data

Still to get working:

 write MOL ?
 write XYZ ?
 write PDB ?


Bob



On Mon, Sep 16, 2013 at 5:54 PM, Robert Hanson hans...@stolaf.edu wrote:

 OK.

 I have uploaded changes to Jmol that allow JSmol/HTML5 to read and write
 files to a local drive.

 Whew! That was tricky -- text, binary, zip, gzip, pngj, xml -- I checked
 as many as I could find. Please test on a variety of platforms:

 http://chemapps.stolaf.edu/jmol/zip/jmol-13.3.6_2013.09.16.zip

 top center column -- local file read write

 Bob

 ___JmolVersion=13.3.6_dev_2013.09.16

 bug fix: chains improperly selected in JSmol/HTML5
 bug fix: JSmol/HTML5 not allowing drag-drop or file loading from a local
 drive.
 bug fix: JSmol/HTML5 not allowing WRITE FILE ?

 bug fix: platformSpeed persists but appears unreadable after loading a
 state
 bug fix: JavaScript version InputStreamReader not processing non-UTF data
 correctly
 bug fix: second reading of older PNG files with embedded script fails
  due to improper png file caching

 new feature: set drawFontSize // defaults to 14.0




 --
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr


 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
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


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] Problem with Jmol export to web?

2013-09-16 Thread Robert Hanson
I'll take a look.


On Mon, Sep 16, 2013 at 3:27 PM, Cox, Arthur G. a...@southuniversity.eduwrote:

 Unfortunately it looks like even if the model is loaded from disk (rather
 than database) that E2W does not work. No error message shows up, and
 right-clicking in the applet window gives the message 0.0: in the model 1/1
 submenu. I think this indicates that no model was loaded.

 Too bad. It was a nice, easy way to get students started making web pages
 without html or javascript.

 Thanks
 -Art


 -Original Message-
 From: Angel Herráez [mailto:angel.herr...@uah.es]
 Sent: Wednesday, September 11, 2013 3:58 AM
 To: jmol-users@lists.sourceforge.net
 Subject: Re: [Jmol-users] Problem with Jmol export to web?

 Export to web should work fine, it uses Java Jmol and Jmol.js I hav had no
 problems with it in a couple of courses with several people.
 Although using a sample page is an option, it requires users to know a bit
 about html and javascript to modify. I have found that E2W is an easy
 starting point for general users. So I advise do not get away from it --
 just find out the one or two situations where the user does not get a
 working page:
 1- Using Jmol.jar extracted from the distribution zip without having
 extracted all the other files too.
 2- Loading a structure from database.
 3- Providing incorrect paths for Jmol files in the dialog.

 ·
  Dr. Angel Herráez
  Biochemistry and Molecular Biology,
  Dept. of Systems Biology, University of Alcalá
  E-28871 Alcalá de Henares  (Madrid), Spain



 --
 How ServiceNow helps IT people transform IT departments:
 1. Consolidate legacy IT systems to a single system of record for IT 2.
 Standardize and globalize service processes across IT 3. Implement
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St. Olaf College
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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] Problem with Jmol export to web?

2013-09-16 Thread Robert Hanson
I think it works, but we have the added security features now that the
unsigned applet can't access local files. So you have to go into the HTML
and change this bit:

 if (jmoljarpath ==.){
 jmoljarfile=JmolApplet.jar; //use the unitary applet instead of
incremental
 }


to

 if (jmoljarpath ==.){
 jmoljarfile=JmolAppletSigned.jar; //use the unitary applet
instead of incremental
 }

I realize that that is not obvious.

Bob


On Mon, Sep 16, 2013 at 6:31 PM, Robert Hanson hans...@stolaf.edu wrote:

 I'll take a look.


 On Mon, Sep 16, 2013 at 3:27 PM, Cox, Arthur G. 
 a...@southuniversity.eduwrote:

 Unfortunately it looks like even if the model is loaded from disk (rather
 than database) that E2W does not work. No error message shows up, and
 right-clicking in the applet window gives the message 0.0: in the model 1/1
 submenu. I think this indicates that no model was loaded.

 Too bad. It was a nice, easy way to get students started making web pages
 without html or javascript.

 Thanks
 -Art


 -Original Message-
 From: Angel Herráez [mailto:angel.herr...@uah.es]
 Sent: Wednesday, September 11, 2013 3:58 AM
 To: jmol-users@lists.sourceforge.net
 Subject: Re: [Jmol-users] Problem with Jmol export to web?

 Export to web should work fine, it uses Java Jmol and Jmol.js I hav had
 no problems with it in a couple of courses with several people.
 Although using a sample page is an option, it requires users to know a
 bit about html and javascript to modify. I have found that E2W is an easy
 starting point for general users. So I advise do not get away from it --
 just find out the one or two situations where the user does not get a
 working page:
 1- Using Jmol.jar extracted from the distribution zip without having
 extracted all the other files too.
 2- Loading a structure from database.
 3- Providing incorrect paths for Jmol files in the dialog.

 ·
  Dr. Angel Herráez
  Biochemistry and Molecular Biology,
  Dept. of Systems Biology, University of Alcalá
  E-28871 Alcalá de Henares  (Madrid), Spain



 --
 How ServiceNow helps IT people transform IT departments:
 1. Consolidate legacy IT systems to a single system of record for IT 2.
 Standardize and globalize service processes across IT 3. Implement
 zero-touch automation to replace manual, redundant tasks

 https://urldefense.proofpoint.com/v1/url?u=http://pubads.g.doubleclick.net/gampad/clk?id%3D5127%26iu%3D/4140/ostg.clktrkk=DAg7EJlu1K0Rh3TtbXoISg%3D%3D%0Ar=fjW3YEaX7L6b5Qr8M6KoEajTOc8b2Al40L8KZaVTlmM%3D%0Am=%2FekaOOb9To3ww5aqUfVXN6KmQ8lUpim%2F5KpW68aUneE%3D%0As=d47410ea646a20dc4c48162bb1c6a9113e7fee939db8091f72b32f2a0d73b361
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 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr


 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
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


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

Re: [Jmol-users] jsmol -- local file reading/drag drop and local file writing

2013-09-16 Thread Amjad Farooq
Bob,

Beautiful! What can I say? You are awesome, man.

So, on my side, I tested the following commands that you just enabled on
Firefox and Chrome:
load ?.pdb
write FILE ?.pdb
write JPG ?.jpg
write PNG ?.png

They all work on both browsers. I did not have much luck on IE. But, do we
care? Only dummies use IE. Do not waste your time on configuring these
features for IE. Anyone who uses IE is most probably not going to work with
JSmol.

So, my advice, would be to focus your energy and add new features that work
in Firefox and Chrome. IE is just a different beast and it is only going to
bug you down and cause other issues. You can always add an in-built warning
sign (like java reminds users that no java is installed!) that warns IE
users that JSmol is not configured for IE and that it only works with
Firefox and Chrome. That way you can focus your energy on adding additional
features to JSmol in lieu of IE taking your valuable time. Just some
thoughts.

Thanks very much, Bob!
You made my day (I am in the process of moving to JSmol and do away with
Jmol altogether on my webpage).

Amjad







On Mon, Sep 16, 2013 at 7:27 PM, Robert Hanson hans...@stolaf.edu wrote:

 That's also now in place at
 http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm

 If you have trouble, clear your cache and try again. I had to do that to
 get Firefox to move to the latest upload.

 Uploading of local files:

  load ?  # displays a dialog over the applet
  x = load(?)   # allows moving file data straight into a variable
 instead of loading it as a model.

 Downloading to the local drive:

  write FILE ?  # the original file data

 Still to get working:

  write MOL ?
  write XYZ ?
  write PDB ?


 Bob



 On Mon, Sep 16, 2013 at 5:54 PM, Robert Hanson hans...@stolaf.edu wrote:

 OK.

 I have uploaded changes to Jmol that allow JSmol/HTML5 to read and write
 files to a local drive.

 Whew! That was tricky -- text, binary, zip, gzip, pngj, xml -- I checked
 as many as I could find. Please test on a variety of platforms:

 http://chemapps.stolaf.edu/jmol/zip/jmol-13.3.6_2013.09.16.zip

 top center column -- local file read write

 Bob

 ___JmolVersion=13.3.6_dev_2013.09.16

 bug fix: chains improperly selected in JSmol/HTML5
 bug fix: JSmol/HTML5 not allowing drag-drop or file loading from a local
 drive.
 bug fix: JSmol/HTML5 not allowing WRITE FILE ?

 bug fix: platformSpeed persists but appears unreadable after loading
 a state
 bug fix: JavaScript version InputStreamReader not processing non-UTF data
 correctly
 bug fix: second reading of older PNG files with embedded script fails
  due to improper png file caching

 new feature: set drawFontSize // defaults to 14.0




 --
 Robert M. Hanson
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr


 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
 Larson-Anderson Professor of Chemistry
 St. Olaf College
 Northfield, MN
 http://www.stolaf.edu/people/hansonr


 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



 --
 LIMITED TIME SALE - Full Year of Microsoft Training For Just $49.99!
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Re: [Jmol-users] Jmol 13.0.1 connect_atoms error

2013-09-16 Thread Robert Hanson
what version did that work in?  Should be:

data connect_atoms
91  198040960.4 -2.501  hbond;
1705187240960.4 -2.974  hbond;
1722185340960.4 -2.543  hbond;
 end connect_atoms;

This format is not documented; it was intended only for definition of the
state. For reference, the columns are:

1 and 2 are the 0-based atom indices
3 is the coded bond type.
4 is the diameter of the connector
5 is the energy calculated for this bond (only relevant for hydrogen
bonds)
6 is the human-readable meaning of the coded bond type (ignored)


Bob



On Mon, Sep 16, 2013 at 1:45 PM, Jaime Prilusky 
jaime.prilu...@weizmann.ac.il wrote:

  Is this structure not longer valid? We have several scripts using it in
 the past and things were Ok.

 Today, running on Jmol 13.0.1 it returns parsing error. Does it works Ok
 on previous versions of Jmol? On newer versions?

  Jaim

  data connect;
   connect_atoms
 91  198040960.4 -2.501  hbond;
 1705187240960.4 -2.974  hbond;
 1722185340960.4 -2.543  hbond;
  end connect_atoms;




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St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


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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] jsmol -- local file reading/drag drop and local file writing

2013-09-16 Thread Robert Hanson
Great. My pleasure. (Actually not, because I really hate to dig into the
data stream code.)

Thanks for the advice. It should require MSIE 10, which is what I tested it
on. MSIE 9 doesn't have the FileLoader interface, I think. But except for
this, we support back to MSIE 9 at least.

Bob


ps  - Please don't disparage those who for whatever reason want to/need to
use MSIE.



On Mon, Sep 16, 2013 at 6:56 PM, Amjad Farooq am...@farooqlab.net wrote:

 Bob,


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Re: [Jmol-users] jsmol -- local file reading/drag drop and local file writing

2013-09-16 Thread Amjad Farooq
Thanks Bob!
My apologies for being so negative about IE. I have always had a terrible
time with it. But, of course, good luck to others.
Amjad

*AMJAD FAROOQ PhD DIC | Associate Professor
Dept of Biochemistry  Molecular Biology | Miller School of Medicine |
University of Miami | Miami | FL 33136
Located @ Gautier Building #217 | Mail @ 1011 NW 15th Street #217, Miami ,
FL 33136
am...@farooqlab.net | off 305-243-2429 | lab 305-243-9799 | fax
305-243-3955 | www.farooqlab.net*


On Mon, Sep 16, 2013 at 8:08 PM, Robert Hanson hans...@stolaf.edu wrote:

 Great. My pleasure. (Actually not, because I really hate to dig into the
 data stream code.)

 Thanks for the advice. It should require MSIE 10, which is what I tested
 it on. MSIE 9 doesn't have the FileLoader interface, I think. But except
 for this, we support back to MSIE 9 at least.

 Bob


 ps  - Please don't disparage those who for whatever reason want to/need to
 use MSIE.



 On Mon, Sep 16, 2013 at 6:56 PM, Amjad Farooq am...@farooqlab.net wrote:

 Bob,



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Re: [Jmol-users] Problem with Jmol export to web?

2013-09-16 Thread Jonathan Gutow
We really should fix this.  My hope is to find some time to update export to 
web to generate pages that can us JSmol as well before next Spring.  
Unfortunately, my time is booked pretty solid, so I cannot make promises to do 
this.  Maybe we should make this patch to the templates as a temporary fix.

Jonathan
On Sep 16, 2013, at 6:57 PM, jmol-users-requ...@lists.sourceforge.net wrote:

 Message: 1
 Date: Mon, 16 Sep 2013 18:45:58 -0500
 From: Robert Hanson hans...@stolaf.edu
 Subject: Re: [Jmol-users] Problem with Jmol export to web?
 To: jmol-users@lists.sourceforge.net
   jmol-users@lists.sourceforge.net
 Message-ID:
   caf_yuvuge3yrk8oh6o9cdnfz0wyihno-qo9x4pbu0z5yeug...@mail.gmail.com
 Content-Type: text/plain; charset=iso-8859-1
 
 I think it works, but we have the added security features now that the
 unsigned applet can't access local files. So you have to go into the HTML
 and change this bit:
 
 if (jmoljarpath ==.){
 jmoljarfile=JmolApplet.jar; //use the unitary applet instead of
 incremental
 }
 
 
 to
 
 if (jmoljarpath ==.){
 jmoljarfile=JmolAppletSigned.jar; //use the unitary applet
 instead of incremental
 }
 
 I realize that that is not obvious.
 
 Bob

 Dr. Jonathan H. Gutow
Chemistry Departmentgu...@uwosh.edu
UW-Oshkosh  Office: 920-424-1326
800 Algoma BoulevardFAX:920-424-2042
Oshkosh, WI 54901
http://www.uwosh.edu/facstaff/gutow

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Re: [Jmol-users] Jmol 13.0.1 connect_atoms error

2013-09-16 Thread Jaime Prilusky
Thank you for the correct format.
Jaim

On Sep 17, 2013, at 3:03 AM, Robert Hanson 
hans...@stolaf.edumailto:hans...@stolaf.edu wrote:

what version did that work in?  Should be:

data connect_atoms
91  198040960.4 -2.501  hbond;
1705187240960.4 -2.974  hbond;
1722185340960.4 -2.543  hbond;
end connect_atoms;

This format is not documented; it was intended only for definition of the 
state. For reference, the columns are:

1 and 2 are the 0-based atom indices
3 is the coded bond type.
4 is the diameter of the connector
5 is the energy calculated for this bond (only relevant for hydrogen bonds)
6 is the human-readable meaning of the coded bond type (ignored)


Bob



On Mon, Sep 16, 2013 at 1:45 PM, Jaime Prilusky 
jaime.prilu...@weizmann.ac.ilmailto:jaime.prilu...@weizmann.ac.il wrote:
Is this structure not longer valid? We have several scripts using it in the 
past and things were Ok.

Today, running on Jmol 13.0.1 it returns parsing error. Does it works Ok on 
previous versions of Jmol? On newer versions?

Jaim

data connect;
  connect_atoms
91  198040960.4 -2.501  hbond;
1705187240960.4 -2.974  hbond;
1722185340960.4 -2.543  hbond;
end connect_atoms;



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--
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Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


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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