[Chimera-users] morphing model extrapolation

Elaine Meng meng at cgl.ucsf.edu
Tue Dec 11 09:37:18 PST 2012


Hi Stefan,
Sorry, no -- the morphing calculation can only interpolate between the input structures.
Best,
Elaine
----------
Elaine C. Meng, Ph.D. 
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco

On Dec 10, 2012, at 6:16 PM, Gajewski, Stefan wrote:

> Hi!
>  
> I have two .pdb files on hand. Both are in between two biologically relevant conformations. When I create a morph between them, I can see them permuting between the two crystal structures but only half way to the two relevant conformations.
>  
> The morphing model should generate a trajectory between the two coordinate sets. Is it possible to let the morphing model generate more coordinate files/frames beyond the target structure?  Let’s say 120 frames morph A to B and compute 60-100 more frames beyond B based on the previous trajectories?
>  
> Thanks,
> Stefan




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