Re: [Jmol-users] R: Re: JSmol Question

2013-01-24 Thread Bob Hanson
Definitely. Use Firefox though. Make sure the file name indicates it's nature. 
So eg 1crn.pdb vs 1crn.pdb.gz. 

On Jan 25, 2013, at 12:17 AM, "pino.stricc...@libero.it" 
 wrote:

> Is it still possible to create a Jsmol page locally, make the changes and 
> then upload it?
> With one of last version i downloaded i receive message error "unrecognized 
> file format".
> Pino
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Re: [Jmol-users] JSmol update

2013-01-24 Thread Angel Herráez
Mike, I downloaded it like 2 hours ago and it unzipped well
(Windows, WinZip)


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Re: [Jmol-users] JSmol update

2013-01-24 Thread Michael Evans
Bob,
Not sure if I'm the only one having this problem, but I can't get jsmol.zip
to decompress properly. On OS X 10.8.2, Archive Utility hangs while trying
to unzip it.

I both hope and don't hope it's just me! :-P

Cheers, Mike


---
Michael Evans
Organic Chemistry Graduate Student, Moore Group
University of Illinois, Urbana-Champaign


On Mon, Jan 21, 2013 at 11:21 PM, Robert Hanson  wrote:

> http://chemapps.stolaf.edu/jmol/jsmol.zip
>
> -- echo IMAGE
> -- background IMAGE
> -- partially compressed .js files
>
> (I think you must load an image from the host machine, not cross-domain.)
>
> I have Google Closure-compiled all the necessary JS*.js files into one
> 200KB file, JSmol.min.js, which is demonstrated at
>
> http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm
>
> The compressed set includes JSmoljQuery.js, JSmolCore.js, JSmol.js,
> JSmolApplet.js, JSmolControls.js, JSmolApi.js, and j2s/j2sjmol.js
>
> j2s/java/package.js and j2s/core/core.*.js files are also loaded as needed.
>
> My attempt at closure-compiling core.z.js was not successful.
>
> http://chemapps.stolaf.edu/jmol/jsmol/test2.htm  is still there, and it
> uses the uncompressed files.
>
> Bob
>
> --
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> Chair, Chemistry Department
> 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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[Jmol-users] R: Re: JSmol Question

2013-01-24 Thread pino.stricc...@libero.it
Is it still possible to create a Jsmol page locally, make the changes and then 
upload it? With one of last version i downloaded i receive message error 
"unrecognized file format". Pino
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[Jmol-users] jmol & shutter glasses

2013-01-24 Thread Paul Pillot
Dear Jmolers,
I've been asked a question from a teacher who has access to a DLP3D video 
projector and corresponding shutter glasses.
Is there a way to display stereo in Jmol with theses devices ?
I think such discussions have already come their way on that list but I can't 
find them...
Thanks
Paul

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[Jmol-users] Fwd: Jmol iPad app

2013-01-24 Thread Bob Hanson

Begin forwarded message:

> From: Robert Hanson 
> Date: January 24, 2013 4:14:54 PM GMT+02:00
> To: undisclosed-recipients:;
> Subject: Jmol iPad app
> 
> Dear Jmol users,
> 
> The Jmol iPad app. The  obvious next step, right? So, I'd like to start a 
> discussion with Jmol users and Jmol page developers. 
> 
> IF we were to work on an iPad app, what would it take to make it the "killer 
> app" that would equal Jmol as the "killer applet."? What is it that makes 
> Jmol/JSmol unique as an applet/JavaScript library? 
> 
> Some ideas:
> 
> -- scriptability - One of Jmol's key features is its high-level scripting 
> language that lets both web developers and (knowledgeable) web users interact 
> with it in ways that Jmol developers ourselves haven't  conceptualized. 
> 
> -- adaptability - Web page developers can put the applet in a context of 
> their own choosing, with all sorts of interesting content around the applet 
> that makes this particular page for a page visitor a particularly interesting 
> and unique interactive experience.
> 
> Of these two, the first is probably very easy to implement in a Jmol app.  
> What about the second? 
> 
> My thinking goes like this: There are three groups:
> 
> -- Jmol code developers (meaning those of us writing the Java code)
> -- Jmol page developers (those using Jmol for their own creative ends using 
> the code and interfaces developed by the Jmol code developers)
> -- Jmol users (those who visit the pages created by the Jmol page developers)
> 
> If you think about it, that second category is what makes Jmol unique. There 
> are programs out there like pyMol and Mercury, and others that are created by 
> code developers and  used by users. But what other programs involve the 
> middle category? I think of Adobe Flash as something like that. Is that it? 
> Jmol is more like Flash than it is like pyMol? Jmol provides the technology 
> that page developers can use to design a unique experience for their page's 
> visitors. This is what makes Jmol quite different from, say, a JavaScript 
> library that allows one to pop up a 3D model on a page and pretty much leaves 
> it at that. That's what the combination of controls and high-level scripting 
> gets us. Right?
> 
> It seems to me, that if a "Jmol app" were to be valuable, it would still 
> involve this triad of involvement. Wouldn't it be a waste of time to develop 
> "just another molecule viewer" even if it is Jmol? That would be more like 
> morphing the Jmol application into an iPad app, not the Jmol applet.
> 
> But how would we maintain that middle tier? 
> 
> One idea: The "Jmol app" by itself does little. But what it does do is 
> interact with a cloud-based server (or perhaps any web site?) to pull context 
> down and surround the viewer window with that context. So what a "Jmol 
> context developer" (I can't think of the analogy in terms of iPad apps, 
> because I don't think there is this category yet) would do would be to 
> develop an actual web page with an actual computer using a standard browser 
> and then through some sort of registered process upload, perhaps, a link to 
> that page along with a thumbnail image and a set of searchable keywords or 
> abstract. While that page could be viewed on the browser, some version of it 
> could also be viewed within the Jmol app. When the Jmol app is opened, it 
> would be like getting an index to all the Jmol pages in existence -- those 
> adapted to this iPad idea. The user would  select the [what? -- applet? (does 
> sound about right...)] of choice and off they go. That "applet" would pull 
> context from the web, surround the Jmol window with that context, and there 
> you have it. 
> 
> What do you think? Feedback? Suggestions? 
> 
> Bob
> 
> 
> 
> 
> 
> 
> -- 
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> Chair, Chemistry Department
> 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 Question

2013-01-24 Thread Robert Hanson
On Thu, Jan 24, 2013 at 2:27 PM, Otis Rothenberger wrote:

> You might be right, but I think it's more subtle than that. From what I
> read, iPad Safari actually sends a hover event. You see it when you touch a
> link and hold for a second rather than click (a quick tap). The hold
> selects the link and brings up a hover box, albeit not the link title
> hover. I haven't tried it, but I bet a :hover style would override Safari's
> hover box to bring up your own hover hint. It's not just links. Hovering
> (touch hold) page html containers selects them and brings up a copy box.
>

I'm pretty sure "touch and hold" fires "double-click". That's certainly a
configuration option in Windows 8.



>
> So in the case of bond selection, I really think it's a touch followed by
> a tap. The bond hover circles do not display, so I make the model go
> translucent for a second to reinforce proper bond selection.
>
> At first, I put this all in the fun challenge category, but I must admit
> that I'm pleasantly surprised to find how well JSmol behaves on
> Safari/iPad. IPad/Chrome on the other hand is useless.
>
> iPad aside, I can't believe how easy it was to bring most of our virtual
> model kit functionality from Jmol applet to JSmol.
>
>
Yes. It does seem that the small molecular problem is solved -- the iPad
has the power to do it, and the entire set of Jmol commands is now
implemented. There is the issue of the 3 Mb download, but that's about it.
I don't see that as a make-it-or-break it issue.

Now that I have my hands on an iPad for a few days, I'm going to be doing
some speed testing to see just what it is Safari on the iPad does so
poorly. I find it hard to believe this is a processor issue. I suspect it's
a JavaScript optimization issue.


Bob


> Otis
>
>
> --
> Otis Rothenberger
> o...@chemagic.com
> http://chemagic.com
>
>
>
>
> On Jan 24, 2013, at 12:50 AM, Robert Hanson wrote:
>
> isn't that called a "double-click"? :)
>
>
> On Wed, Jan 23, 2013 at 9:56 PM, Otis Rothenberger 
> wrote:
>
>> Bob,
>>
>> OK, finally. I was screwing up with missing quotes on the bind. I had
>> them in what I pasted below, but they were missing in my code.
>>
>> You can conformation rotate about a bond on an iPad. The hover on the
>> bond is a bit tricky, but there's a learnable rhythm involved -
>> touch/up/touch/up. It works pretty well with a stylus. What fun.
>>
>> Otis
>>
>> --
>> Otis Rothenberger
>> o...@chemagic.com
>> http://chemagic.com
>>
>>
>>
>>
>> On Jan 23, 2013, at 4:15 PM, Robert Hanson wrote:
>>
>> you can certainly use
>>
>> UNBIND LEFT
>>
>> to unbind LEFT-CLICK.
>>
>>
>>
>>
>> On Wed, Jan 23, 2013 at 7:34 AM, Otis Rothenberger > > wrote:
>>
>>> Bob,
>>>
>>> I've discovered that iPad actually has a hover that allows me to select
>>> a bond in JSmol prior to a conformation rotation. So this hover/click
>>> movement sets me up for conformation. I'm currently using the following
>>> binding for this:
>>>
>>> bind "CTRL-LEFT" "select WITHIN(BRANCH,{atomno=rot1}, {atomno=rot2}); if
>>> (_X < 250){select WITHIN(BRANCH,{atomno=rot2}, {atomno=rot1});}
>>> rotateSelected {atomno=rot1} {atomno=rot2} @{_DELTAY*.5}
>>>
>>> The rot1 and rot2 are set up by the bond selection. The 250 is my half
>>> my JSmol window width.
>>>
>>> The above binding (CTRL-LEFT) is useless on an iPad. Is there any way to
>>> temporarily unbind "LEFT" alone so that it can be bound to the above
>>> script? If not, do any other touch executions of the above come to mind?
>>>
>>> I'm assuming above that "LEFT" alone would equate to touch-drag on the
>>> iPad.
>>>
>>> Otis
>>>
>>> --
>>> Otis Rothenberger
>>> o...@chemagic.com
>>> http://chemagic.com
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
>>> --
>>> Master Visual Studio, SharePoint, SQL, ASP.NET, C# 2012, HTML5, CSS,
>>> MVC, Windows 8 Apps, JavaScript and much more. Keep your skills current
>>> with LearnDevNow - 3,200 step-by-step video tutorials by Microsoft
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>>> Jmol-users@lists.sourceforge.net
>>> https://lists.sourceforge.net/lists/listinfo/jmol-users
>>>
>>
>>
>>
>> --
>> Robert M. Hanson
>> Larson-Anderson Professor of Chemistry
>> Chair, Chemistry Department
>> 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
>>
>> --
>> Master Visual Studio, SharePoint, SQL, ASP.NET, C# 2012, HTML5, CSS,
>> MVC, Windows 8 Apps, JavaScript and much more. Keep your skills current
>> with LearnDevNow - 3,200 step-by-step video tutorials by Microsoft
>> MVPs and experts. ON SALE this month only -- learn

Re: [Jmol-users] JSmol Question

2013-01-24 Thread Otis Rothenberger
You might be right, but I think it's more subtle than that. From what I read, 
iPad Safari actually sends a hover event. You see it when you touch a link and 
hold for a second rather than click (a quick tap). The hold selects the link 
and brings up a hover box, albeit not the link title hover. I haven't tried it, 
but I bet a :hover style would override Safari's hover box to bring up your own 
hover hint. It's not just links. Hovering (touch hold) page html containers 
selects them and brings up a copy box.

So in the case of bond selection, I really think it's a touch followed by a 
tap. The bond hover circles do not display, so I make the model go translucent 
for a second to reinforce proper bond selection.

At first, I put this all in the fun challenge category, but I must admit that 
I'm pleasantly surprised to find how well JSmol behaves on Safari/iPad. 
IPad/Chrome on the other hand is useless.

iPad aside, I can't believe how easy it was to bring most of our virtual model 
kit functionality from Jmol applet to JSmol.

Otis


--
Otis Rothenberger
o...@chemagic.com
http://chemagic.com




On Jan 24, 2013, at 12:50 AM, Robert Hanson wrote:

> isn't that called a "double-click"? :)
> 
> 
> On Wed, Jan 23, 2013 at 9:56 PM, Otis Rothenberger  
> wrote:
> Bob,
> 
> OK, finally. I was screwing up with missing quotes on the bind. I had them in 
> what I pasted below, but they were missing in my code.
> 
> You can conformation rotate about a bond on an iPad. The hover on the bond is 
> a bit tricky, but there's a learnable rhythm involved - touch/up/touch/up. It 
> works pretty well with a stylus. What fun.
> 
> Otis
> 
> --
> Otis Rothenberger
> o...@chemagic.com
> http://chemagic.com
> 
> 
> 
> 
> On Jan 23, 2013, at 4:15 PM, Robert Hanson wrote:
> 
>> you can certainly use
>> 
>> UNBIND LEFT
>> 
>> to unbind LEFT-CLICK. 
>> 
>> 
>> 
>> 
>> On Wed, Jan 23, 2013 at 7:34 AM, Otis Rothenberger  
>> wrote:
>> Bob,
>> 
>> I've discovered that iPad actually has a hover that allows me to select a 
>> bond in JSmol prior to a conformation rotation. So this hover/click movement 
>> sets me up for conformation. I'm currently using the following binding for 
>> this:
>> 
>> bind "CTRL-LEFT" "select WITHIN(BRANCH,{atomno=rot1}, {atomno=rot2}); if (_X 
>> < 250){select WITHIN(BRANCH,{atomno=rot2}, {atomno=rot1});} rotateSelected 
>> {atomno=rot1} {atomno=rot2} @{_DELTAY*.5}
>> 
>> The rot1 and rot2 are set up by the bond selection. The 250 is my half my 
>> JSmol window width.
>> 
>> The above binding (CTRL-LEFT) is useless on an iPad. Is there any way to 
>> temporarily unbind "LEFT" alone so that it can be bound to the above script? 
>> If not, do any other touch executions of the above come to mind?
>> 
>> I'm assuming above that "LEFT" alone would equate to touch-drag on the iPad.
>> 
>> Otis
>> 
>> --
>> Otis Rothenberger
>> o...@chemagic.com
>> http://chemagic.com
>> 
>> 
>> 
>> 
>> 
>> 
>> 
>> --
>> Master Visual Studio, SharePoint, SQL, ASP.NET, C# 2012, HTML5, CSS,
>> MVC, Windows 8 Apps, JavaScript and much more. Keep your skills current
>> with LearnDevNow - 3,200 step-by-step video tutorials by Microsoft
>> MVPs and experts. ON SALE this month only -- learn more at:
>> http://p.sf.net/sfu/learnnow-d2d
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>> Jmol-users@lists.sourceforge.net
>> https://lists.sourceforge.net/lists/listinfo/jmol-users
>> 
>> 
>> 
>> -- 
>> Robert M. Hanson
>> Larson-Anderson Professor of Chemistry
>> Chair, Chemistry Department
>> 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
>> 
>> --
>> Master Visual Studio, SharePoint, SQL, ASP.NET, C# 2012, HTML5, CSS,
>> MVC, Windows 8 Apps, JavaScript and much more. Keep your skills current
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>> https://lists.sourceforge.net/lists/listinfo/jmol-users
> 
> 
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