[Chimera-users] morphing model extrapolation
meng at cgl.ucsf.edu
Tue Dec 11 09:37:18 PST 2012
Sorry, no -- the morphing calculation can only interpolate between the input structures.
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:
> 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?
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