OK, I'm catching on. Just takes me a while. It still might be nice to
develop a general set of JavaScript functions that would be particularly
handy. A select() function would be very nice, for example. I guess that's
what you are doing
By the way, is this to prevent the repetitive access to
"
@Paul
We do not currently have a querying function, and this is a great idea to add.
We have SMARTS support that we can pipe through, however, it will take some
work before we can deal with proteins in such a way. The script is irrelevant
to this functionality though, as the script in itself wou
Charles, I got headless image generation going. The current release of
Jmol, specifically JmolData.jar does it for PNG creation. There was a minor
snafu with JPG creation, so that will be in Jmol 12.2.20/12.3.20.
I can send you the PHP file I used if you want.
Bob
--
Robert M. Hanson
Professor
I wasn't necessarily trying to say anything. But I'm interested in what
those controls can do. Is it limited to a few standard operations like
changing overall rendering? I think maybe it's limited to just a few simple
operations being simple to implement. At least now. For example, I haven't
found
@Jeff,
Jmol allows to control the display of specific parts of a model by an efficient
query language inherited from Rasmol "Select hetero; do whatever; select
protein; do whatever; ...".
To my use in class, this is a real motivation for using this software compared
to a "twiddling" application.
I'm not with you Bob. I checked the ChemDoodle demos (quite nice really) and I
see the same kind of functionality as I see on many Jmol sites, radio buttons
and such to control the appearance or behavior of a molecule. Are you saying
you think this is easier to create using Jmol scripting than
I think this question got lost in the lower reaches of my response. It's
fine if the answer is, "You can't do that, at least not yet."
My point is that the power of Jmol isn't the twiddle factor; it's the
scriptability (by people who are chemists, not JavaScript or Java experts).
I don't see any
I'm certainly in agreement with Henry on this point. Collada is a kludge that's
currently useful for getting a twiddleable model into a recalcitrant platform.
Collada's origins are of the entertainment sector - not molecular science.
Where twiddleable models are the only objective, this kludge i
On 3 Apr 2012, at 15:24, Kevin Theisen wrote:
>>
>> Kevin, would you like to comment on this? Perhaps also it would help me to
>> understand the Bachrach scenario of data extraction and re-use in the
>> JavaScript/JSON/Chemdoodle (security) context. How might that work for
>> example (wit
>
> Kevin, would you like to comment on this? Perhaps also it would help me to
> understand the Bachrach scenario of data extraction and re-use in the
> JavaScript/JSON/Chemdoodle (security) context. How might that work for
> example (with or without server-side interventions)?
ChemDoodle
>
> I was thinking that some simple format like
>
> write xxx.vrml
Thanks, I'll look into the Java API later today. Basically, I would like to
call it via Java rather than the script. I will definitely have some questions
for you, I'll send them offline.
>
> ? Those are pretty simple opera
On 04/03/2012 11:04 AM, Pascal Auffinger wrote:
> Hi,
>
> could you tell me how to zoom "in" or "out" in a manner that all atoms are
> filling the applet window.
>
You can do this by a scripting command. Open the Jmol scripting console
('Console' in the Jmol popup menu) and enter the following com
Hi Pascal
Check the documentation. It's under "zoomto" comand with a zero number at the
end
meaning "fit to all atoms". I don't have the details right now with me.
maybe
zoomto 1.0 {all} 0
--
Better than sec? Nothing
Hi,
could you tell me how to zoom "in" or "out" in a manner that all atoms are
filling the applet window.
Thanks,
Pascal
--
Better than sec? Nothing is better than sec when it comes to
monitoring Big Data applications
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