Re: [AMBER] interactive MD applied to AI

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Thu, 21 Apr 2016 21:17:39 -0400

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
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Apr 21 2016 - 18:30:03 PDT
Custom Search