Dear Eric, Thanks for your quick, thoughtful reply. Sorry for the ambiguity. I meant one copy of Jmol; two datasets displayed side-by-side in a single Jmol. Or rather, two datasets superimposed in the display.
My data is in multi-frame XYZ files. Each file is of the same
molecule, moving slightly differently through time. Frame number N in
file 1 occurs at the same time in the simulation as frame N in file 2.
I'd like to see the same frame number from more than one file at
once, to compare how the trajectories are evolving in time.
Displaying two models using
load traj1.xyz
load append traj2b.xyz
frame all
display 1.169,2.169
gives the single-point version of what I'm looking for. I'd like to
animate that.
My current impression is that when Jmol animates multiple files, it
goes like this (excluding the effect of "frame range ..." commands):
for each file:
for each frame in file:
display frame
In contrast, I'd like the following (assume the same number of frames
in each file):
for each frame number (call it nframe):
display file1.nframe, file2.nframe, file3.nframe ...
Attached are three PNG files showing what I'm after. For the curious,
the simulation is of the photodissociation of ethane. Red is from the
first file and blue from the second. The molecular fragments begin in
coincident locations but begin to drift apart, as each file records
motion driven by different forces (specifically, different electronic
states).
If the attachments don't make it through the mailing list, they are
also available at
http://www.scs.uiuc.edu/~mzwier2/frame169.png
http://www.scs.uiuc.edu/~mzwier2/frame269.png
http://www.scs.uiuc.edu/~mzwier2/frame498.png
Hope that helps clear things up!
Matt Z
On Thu, Aug 7, 2008 at 4:42 PM, Eric Martz <[EMAIL PROTECTED]> wrote:
> Dear Matthew,
>
> Please clarify what you mean by "in parallel".
>
> Do you mean two Jmol's side by side?
> Do you mean two datasets displayed side by side in a single Jmol?
>
> Is it important that the two animations run in frame-by-frame synchrony?
>
> Do you want to be able to rotate each animation independently of the
> other? Or in (aligned) synchrony?
>
> If not too much trouble, a snapshot illustrating the layout you
> envision might help.
>
> -Eric
<<attachment: frame169.png>>
<<attachment: frame269.png>>
<<attachment: frame498.png>>
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