Re: [Jmol-users] Selecting Atoms with the mouse

2012-01-31 Thread Robert Hanson
Hmm. Yes. And just "Jmol" comes right up with
http://jmol.sourceforge.net/docs/ which points directly to the interactive
documentation. So I think we are doing about as well as we can on that
front. Don't know what the problem was.

Bob


2012/1/31 Herráez Sánchez Ángel 

> I guess it all depends on what serach terms are used.
>
> I just entered
> Jmol documentation
> into Google and there it is!
> Attached screenshot
>
>
>
>
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Re: [Jmol-users] Selecting Atoms with the mouse

2012-01-31 Thread Robert Hanson
Angel, I think the problem is that Google is not picking it up somehow. We
need the link on whatever pages Google is sending people to.

2012/1/31 Angel Herráez 

> Hi again Ted
>
> > I certainly was missing that documentation all together.
> > To my mind, the offical documentation was rooted at
> > http://jmol.sourceforge.net/
> > That did not particulary direct me to the documentation at stolaf.eduthat I 
> > can recall.
> > Perhaps it does and I missed it.
>
> Let's see, Ted. If you still think that route is not clear, please
> advice to impove it. This is what we have:
>
> Jmol main website:  http://jmol.org
> (which leads to http://jmol.sourceforge.net/ )
>
> Top-right menu: "Documentation"
> then: "Scripting for Jmol > Scripting Documentation"
> "This interactive online documentation is the reference guide for all
> commands ..."
>
>
> Back to home page, down the page:
> "Learn to use Jmol > Manuals and tutorials"
> "Finally, there is a documentation section in this web site, for more
> technical details."
>
>
>
> Is that not clear? If you did not find it, maybe others won't wither.
> Please suggest.
>
>
>
> > There is another issue that I think confronts most new users and that
> > is the relationship in Jmol between Java (and the java plugin provided
> by each
> > browser publisher), Jmol Scripting (with it's
> > historical relationship with Chime and Rasmol Scripting) and the
> > Javascript interface.  One can easily get confused when reading
> documentation
> > and you don't have a grip on which context the documentation is written
> for.
>
> You might be right. This is not an easy issue. Again, suggestions are
> welcome, as well as collaboration. I feel that Jmol documentation is
> to a lower standard than Jmol features; that's due to lack of
> manpower --or womanpower.  I do what I can in that respect. It's hard
> to match the coding developers efficiency ;-)
>
> 1. "most new users" should not need to worry about Java (other than
> having it installed o their computer). There is nothing involving the
> Java language.
>
> 2. The Javascript interface is a way to more easily insert and access
> Jmol applets and pass to it the scripting language.
>
> 3. The scripting is th part one must learn by study and testing, and
> where all the power of Jmol is. But still quite a few things can be
> achieved with very little scripting, for basic display. Then you
> quickly grow greedy :) and MUST learn the language!
>
>
> > I have been spending most of my time in the javascript interface which I
> think
> > is documented at the sourceforge site rather than the stolaf site
>
> That's right, because it is just so, an interface. To the scripting.
>
>
> > interface looses most of it's power if I don't understand what's on the
> otherside
> > of it and available in the Jmol Scripting context. It seems like two
> seperate worlds
> > with two pretty seperate sets of documentation,  but to use the full
> power of Jmol
> > I need to know both and I need to not be confused about what is a
> javascript interface
> > method and what is a Jmol scripting function (if I even have that
> nomenclature correct).
>
> Yes you have. Every Javascipt function (or call) takes a "script"
> argument. That's the link between both "worlds". You have the
> steering wheel and the pedals, but then there is the engine hidden
> somewhere under the trunk :)
>
> I'd guess that different people learn Jmol in different ways.
>
>
> Ah, there another little mentioned but worthy tool: the Export to Web
> interface included in the Jmol application. It lets you play in Jmol,
> menu and scripting, and then produces a basic webpage for you that
> includes what you have done.
>
>
>
>
> --
> Keep Your Developer Skills Current with LearnDevNow!
> The most comprehensive online learning library for Microsoft developers
> is just $99.99! Visual Studio, SharePoint, SQL - plus HTML5, CSS3, MVC3,
> Metro Style Apps, more. Free future releases when you subscribe now!
> http://p.sf.net/sfu/learndevnow-d2d
> ___
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net
> 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
--
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Re: [Jmol-users] Selecting Atoms with the mouse

2012-01-31 Thread Angel Herráez
Hi again Ted 

> I certainly was missing that documentation all together.
> To my mind, the offical documentation was rooted at
> http://jmol.sourceforge.net/
> That did not particulary direct me to the documentation at stolaf.edu that I 
> can recall.
> Perhaps it does and I missed it.

Let's see, Ted. If you still think that route is not clear, please 
advice to impove it. This is what we have:

Jmol main website:  http://jmol.org   
(which leads to http://jmol.sourceforge.net/ )

Top-right menu: "Documentation"
then: "Scripting for Jmol > Scripting Documentation"
"This interactive online documentation is the reference guide for all 
commands ..."


Back to home page, down the page:
"Learn to use Jmol > Manuals and tutorials"
"Finally, there is a documentation section in this web site, for more 
technical details."



Is that not clear? If you did not find it, maybe others won't wither. 
Please suggest.



> There is another issue that I think confronts most new users and that
> is the relationship in Jmol between Java (and the java plugin provided by each
> browser publisher), Jmol Scripting (with it's
> historical relationship with Chime and Rasmol Scripting) and the
> Javascript interface.  One can easily get confused when reading documentation
> and you don't have a grip on which context the documentation is written for.

You might be right. This is not an easy issue. Again, suggestions are 
welcome, as well as collaboration. I feel that Jmol documentation is 
to a lower standard than Jmol features; that's due to lack of 
manpower --or womanpower.  I do what I can in that respect. It's hard 
to match the coding developers efficiency ;-) 

1. "most new users" should not need to worry about Java (other than 
having it installed o their computer). There is nothing involving the 
Java language.

2. The Javascript interface is a way to more easily insert and access 
Jmol applets and pass to it the scripting language.

3. The scripting is th part one must learn by study and testing, and 
where all the power of Jmol is. But still quite a few things can be 
achieved with very little scripting, for basic display. Then you 
quickly grow greedy :) and MUST learn the language!


> I have been spending most of my time in the javascript interface which I think
> is documented at the sourceforge site rather than the stolaf site 

That's right, because it is just so, an interface. To the scripting.


> interface looses most of it's power if I don't understand what's on the 
> otherside
> of it and available in the Jmol Scripting context. It seems like two seperate 
> worlds
> with two pretty seperate sets of documentation,  but to use the full power of 
> Jmol
> I need to know both and I need to not be confused about what is a javascript 
> interface
> method and what is a Jmol scripting function (if I even have that 
> nomenclature correct).

Yes you have. Every Javascipt function (or call) takes a "script" 
argument. That's the link between both "worlds". You have the 
steering wheel and the pedals, but then there is the engine hidden 
somewhere under the trunk :)

I'd guess that different people learn Jmol in different ways.


Ah, there another little mentioned but worthy tool: the Export to Web 
interface included in the Jmol application. It lets you play in Jmol, 
menu and scripting, and then produces a basic webpage for you that 
includes what you have done.



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Re: [Jmol-users] Selecting Atoms with the mouse

2012-01-30 Thread Ted Cohen
On Mon, January 30, 2012 18:11, Robert Hanson wrote:
> Ted, maybe you are missing the significance of
> http://chemapps.stolaf.edu/jmol/docs  Sorry about that!
>
> This is the official full all-inclusive description of Jmol scripting. Most
> people, I think, load that page and then use their browser to search for
> various items of interest. If you find something missing there, please do
> let me know.

I certainly was missing that documentation all together.
To my mind, the offical documentation was rooted at

http://jmol.sourceforge.net/

That did not particulary direct me to the documentation at stolaf.edu that I 
can recall.
Perhaps it does and I missed it.



There is another issue that I think confronts most new users and that
is the relationship in Jmol between Java (and the java plugin provided by each
browser publisher), Jmol Scripting (with it's
historical relationship with Chime and Rasmol Scripting) and the
Javascript interface.  One can easily get confused when reading documentation
and you don't have a grip on which context the documentation is written for.

I have been spending most of my time in the javascript interface which I think
is documented at the sourceforge site rather than the stolaf site but the 
javascript
interface looses most of it's power if I don't understand what's on the 
otherside
of it and available in the Jmol Scripting context. It seems like two seperate 
worlds
with two pretty seperate sets of documentation,  but to use the full power of 
Jmol
I need to know both and I need to not be confused about what is a javascript 
interface
method and what is a Jmol scripting function (if I even have that nomenclature 
correct).




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Re: [Jmol-users] Selecting Atoms with the mouse

2012-01-30 Thread Robert Hanson
Ted, maybe you are missing the significance of
http://chemapps.stolaf.edu/jmol/docs  Sorry about that!

This is the official full all-inclusive description of Jmol scripting. Most
people, I think, load that page and then use their browser to search for
various items of interest. If you find something missing there, please do
let me know.

Bob Hanson


-- 
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] Selecting Atoms with the mouse solved

2012-01-30 Thread Herráez Sánchez Ángel

> Using the menus:
> 1) Jmol->Main Menu->Select->Selection Halos
> 2) Jmol->Main Menu->Select->None
> 3) Jmol->Main Menu->Set picking->Select Atom

Yes, of course.
Points 1 & 2 could be programmed into the page source if you don't want to do 
them every time

jmolApplet(300, "load myFile.mol;select none;set selectionHalos on;")

or even 1,2,3:

jmolApplet(300, "load myFile.mol;select none;set selectionHalos on;set picking 
select atom;")


:-)

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Re: [Jmol-users] Selecting Atoms with the mouse solved

2012-01-30 Thread Ted Cohen
On Mon, January 30, 2012 16:44, Herráez Sánchez Ángel wrote:
> Hi Ted
>
> 1.
> The popup menu has an entry named "set picking"
> That should do what you want.
>
> There is a "set picking" command too. If you look up the documentation for 
> that, you can see how it works.
>
> 2.
> Given that the default is to start wirh all selected, maybe you want to 
> deselect all by including this command in your jmolApplet() call in the page:
>
> select none;
>
> I hope that's enough.
> Good luck!

Thanks Angel.
That was enough. Here is the recipe that I came up with
using your direction:

Using the menus:
1) Jmol->Main Menu->Select->Selection Halos
2) Jmol->Main Menu->Select->None
3) Jmol->Main Menu->Set picking->Select Atom

At that point the mouse click works as hoped.
Click an atom once to select, again to deselect.
The halos let me know the current selection state of each atom
and the count in parenthesis after the Select in Jmol->Main Menu
gives me a count of the number of atoms selected.



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Re: [Jmol-users] Selecting Atoms with the mouse

2012-01-30 Thread Herráez Sánchez Ángel
Hi Ted

1.
The popup menu has an entry named "set picking"
That should do what you want.

There is a "set picking" command too. If you look up the documentation for 
that, you can see how it works.

2. 
Given that the default is to start wirh all selected, maybe you want to 
deselect all by including this command in your jmolApplet() call in the page:

select none;

I hope that's enough.
Good luck!
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