Re: [AMBER] interactive MD applied to AI

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Thu, 21 Apr 2016 18:37:27 -0700

Thanks Hai,

Is it yours? It's odd no one claims credit on it. The embedded demo
fails to display the molecule by the way.

Bill

On 4/21/16 6:17 PM, Hai Nguyen wrote:
> Hi Bill
>
>> Or heard of javascript for rendering a live trajectory on a web page?
> I don't know if there is one like this. But for rendering trajectory on
> web, you can check NGL viewer: *http://arose.github.io/ngl/
> <http://arose.github.io/ngl/>*
>
> (Choose *Examples --> gro_trajectory*). It has nice API and you can easily
> adapt its code.
>
> Hai
>
> On Thu, Apr 21, 2016 at 8:25 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
>
>> For interactivity, I'd have sander read forces and write measurements
>> from/to sockets at each step, and I'd perhaps want to build in
>> geometrical analysis to quickly get, say, the instantaneous angle
>> between two DNA bases, although pipelining a few hundred atoms through
>> cpptraj might not take too many milliseconds. Then I'd need to figure
>> how to map the user clicks and drags happening on the totally different
>> photos on my web page to reasonable forces in the simulation. I'd want
>> to display the dynamics occurring as well, perhaps charging high prices
>> to see behind the scenes :-.) A feedback time of 1 sec (running a few
>> steps after the mouse click's impact) might suffice.
>>
>> Has anyone tried adding structure analysis to sander? Or heard of
>> javascript for rendering a live trajectory on a web page?
>>
>> Bill
>>
>> On 4/19/16 12:19 PM, Bill Ross wrote:
>>> I have been working on an artificial intelligence that aims to
>>> communicate with pictures:
>>>
>>> http://phobrain.com
>>>
>>> The idea is to simulate presence on the level of what you feel looking
>>> into a dog's eyes, a modified Turing Test if you will.
>>>
>>> Like in the Wizard of Oz, I have been looking for parts for my
>>> character, and I'm thinking an md simulation might serve as a heart. For
>>> this, I would need to pull data from the live simulation, and ideally
>>> introduce forces derived from the clicks of users on the web page. Has
>>> anyone done this with AMBER or another md program?
>>>
>>> Thanks,
>>> Bill
>>>
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>>
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Received on Thu Apr 21 2016 - 19:00:05 PDT
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