Re: [Jmol-users] bind command and picked atoms

2012-01-20 Thread Alexander Rose
Hi Bob,

here is what I tried:

bind "ALT-LEFT" "javascript jmol_center(_X, _Y, _picked);";
bind "ALT-LEFT" "javascript jmol_center(_X, _Y, _atomPicked);";

_X and _Y are replaced with the screen coordinates where the click happened, 
but _picked or _atomPicked are not replaced by anything. And 'jmol_center' is 
just some javascript function which gets correctly called.


This does not work ether:

bind "ALT-LEFT" "print _X; print _Y; print _picked; print _pickedAtom;";

it just print _X and _Y.

Alex


- Ursprüngliche Mail -
> Von: "Bob Hanson" 
> An: jmol-users@lists.sourceforge.net
> CC: jmol-users@lists.sourceforge.net
> Gesendet: Freitag, 20. Januar 2012 18:20:38
> Betreff: Re: [Jmol-users] bind command and picked atoms
> _picked is a variable. I thought it was defined prior to the callback.
> 
> Sent from my stupid iphone
> 
> On Jan 20, 2012, at 10:35 AM, Alexander Rose
>  wrote:
> 
> > Hi all,
> >
> > when using Jmol I find myself using either 'set picking CENTER' or
> > 'set picking SELECT GROUP', so I would like to switch as fast and
> > easy as possible between the two modes via the mouse. My first idea
> > was to use the 'bind' command to bind centering to "ALT-LEFT" and
> > selecting a group to "LEFT". However there is no "_center"
> > jmol-action for the bind command and the "_select" jmol-action seems
> > not to work when 'set picking CENTER' is active. The bind command
> > also allows to pass a jmol "script" instead of a jmol-action, but
> > inside that passed script the information which atom was picked is
> > not available so you can't center on it or select its group. There
> > is also the pick callback, but this does not give you the modifier
> > key that was pressed when the atom was picked.
> >
> > In my opinion the addition of a "_centerOnPickedAtom" jmol-action
> > for the bind command would be useful. A more flexible solution would
> > be to add a "_PICKED" variable (containing a selection of the picked
> > atom; maybe also other pickable elements?!) to the things that gets
> > replaced in a script passed to 'bind' command. Based on that
> > variable it is straightforward to implement centering or selecting a
> > group. What do you think? Would anyone else find this useful, too?
> >
> >
> > Best
> > Alexander
> >
> > --
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Re: [Jmol-users] bind command and picked atoms

2012-01-20 Thread Bob Hanson
_picked is a variable. I thought it was defined prior to the callback. 

Sent from my stupid iphone

On Jan 20, 2012, at 10:35 AM, Alexander Rose  
wrote:

> Hi all,
> 
> when using Jmol I find myself using either 'set picking CENTER' or 'set 
> picking SELECT GROUP', so I would like to switch as fast and easy as possible 
> between the two modes via the mouse. My first idea was to use the 'bind' 
> command to bind centering to "ALT-LEFT" and selecting a group to "LEFT". 
> However there is no "_center" jmol-action for the bind command and the 
> "_select" jmol-action seems not to work when 'set picking CENTER' is active. 
> The bind command also allows to pass a jmol "script" instead of a 
> jmol-action, but inside that passed script the information which atom was 
> picked is not available so you can't center on it or select its group. There 
> is also the pick callback, but this does not give you the modifier key that 
> was pressed when the atom was picked.
> 
> In my opinion the addition of a "_centerOnPickedAtom" jmol-action for the 
> bind command would be useful. A more flexible solution would be to add a 
> "_PICKED" variable (containing a selection of the picked atom; maybe also 
> other pickable elements?!) to the things that gets replaced in a script 
> passed to 'bind' command. Based on that variable it is straightforward to 
> implement centering or selecting a group. What do you think? Would anyone 
> else find this useful, too?
> 
> 
> Best
> Alexander
> 
> --
> 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

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[Jmol-users] bind command and picked atoms

2012-01-20 Thread Alexander Rose
Hi all,

when using Jmol I find myself using either 'set picking CENTER' or 'set picking 
SELECT GROUP', so I would like to switch as fast and easy as possible between 
the two modes via the mouse. My first idea was to use the 'bind' command to 
bind centering to "ALT-LEFT" and selecting a group to "LEFT". However there is 
no "_center" jmol-action for the bind command and the "_select" jmol-action 
seems not to work when 'set picking CENTER' is active. The bind command also 
allows to pass a jmol "script" instead of a jmol-action, but inside that passed 
script the information which atom was picked is not available so you can't 
center on it or select its group. There is also the pick callback, but this 
does not give you the modifier key that was pressed when the atom was picked.

In my opinion the addition of a "_centerOnPickedAtom" jmol-action for the bind 
command would be useful. A more flexible solution would be to add a "_PICKED" 
variable (containing a selection of the picked atom; maybe also other pickable 
elements?!) to the things that gets replaced in a script passed to 'bind' 
command. Based on that variable it is straightforward to implement centering or 
selecting a group. What do you think? Would anyone else find this useful, too?


Best
Alexander

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Re: [Jmol-users] Collada file exchange

2012-01-20 Thread Angel Herráez
Related to this (nothing useful in practice, but that's the info we 
have):

http://wiki.jmol.org/index.php/File_formats/3D_Objects#Collada

and the place to keep adding comments or plans.



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[Jmol-users] Collada file exchange

2012-01-20 Thread Rzepa, Henry S
The recent announcement by Apple of an interactive e-book authoring environment 
(iBooks Author) has an example of a molecule captured using the  Collada format

http://www.khronos.org/collada/

Can I ask if it might be possible for Jmol to emit this format (or should we go 
the  iBabel route?).  Of course, Apple's closed environment means that it is 
very unlikely that Jmol could ever form part of it. Indeed even  Javascript 
based systems such as  ChemDoodle seem closed out at the moment.  But Collada 
might be a good start? 
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