[Chimera-users] Step through trajectory from command line?

Eric Pettersen pett at cgl.ucsf.edu
Mon Mar 3 11:54:49 PST 2008


Hi Kristina,
	There is no command for advancing trajectory frames.  Perhaps you  
can detail the scenario that you need this for and why the per-frame  
scripting of the MD Movie tool doesn't cover your needs.  Are you  
trying to completely automate the production of a movie from a  
trajectory or some such?
	Even if there were a command to advance the trajectory, how would  
you know when to stop?  There are no "flow control" statements (if  
statements/for loops/functions) in the Chimera command language.  I  
think you will have to use Python scripting for completely automating  
trajectory-related scripting.  I can provide assistance there.

--Eric

                         Eric Pettersen
                         UCSF Computer Graphics Lab
                         http://www.cgl.ucsf.edu

On Feb 29, 2008, at 10:18 AM, Kristina Furse wrote:

> Hi-
>
> Can you advance a trajectory by one frame from the command line, or  
> do you have
> to use the controls in the MD Movie panel?
>
> Thanks,
> Kristina
>
> --
> Kristina Furse
> Postdoctoral Research Associate
> 262 Stepan Chemistry Hall
> Notre Dame, IN 46556
> (574)631-3904
>
>
>
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> Chimera-users at cgl.ucsf.edu
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