Why does it have a 'while' loop inside a 'for' loop? -- Darren On 09/20/2011 11:10 AM, Daniel Gurnon wrote:
Here it is:
from chimera import openModels, Molecule, runCommand i=1 runCommand ("morph start #0 frames 2") totalModels=len(openModels.list(modelTypes=[Molecule])) for m in openModels.list(modelTypes=[Molecule]): while i < totalModels: runCommand ("morph interpolate #" +str(i)+ " frames 2") i=int(i)+1 runCommand ("morph movie")
On Tue, Sep 20, 2011 at 1:54 PM, Darren Weber <dweber@cgl.ucsf.edu <mailto:dweber@cgl.ucsf.edu>> wrote:
Hi,
Can we see the interpolation code?
-- Darren
On 09/20/2011 09:40 AM, Daniel Gurnon wrote: > Hi everyone, > For the purpose of making educational content, I'm interested in > smoothing out the often jumpy transitions from frame to frame in a MD > trajectory. My approach was to write two python scripts (with critical > help from Eric of course); one goes through the trajectory and saves > pdbs of each desired frame, while the second opens these pdbs and > creates a morph, interpolating from one pdb to the next. > > It seemed like I was almost there, and it looked great when I tried 50 > frames.....but Chimera crashed when I tried morphing 200 frames, > adding 3 frames of interpolation between each. > > Is there a better way to add transitions in between (ideally thousands > of) frames of an MD trajectory? > > Thanks > Dan > -- > ____________________________ > > Daniel Gurnon, Ph. D. > Associate Professor of Chemistry and Biochemistry > DePauw University > Greencastle, IN 46135 > > p: 765-658-6279 <tel:765-658-6279> > e: danielgurnon@depauw.edu <mailto:danielgurnon@depauw.edu> <mailto:danielgurnon@depauw.edu <mailto:danielgurnon@depauw.edu>> > > > _______________________________________________ > Chimera-users mailing list > Chimera-users@cgl.ucsf.edu <mailto:Chimera-users@cgl.ucsf.edu> > http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users _______________________________________________ Chimera-users mailing list Chimera-users@cgl.ucsf.edu <mailto:Chimera-users@cgl.ucsf.edu> http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users
-- ____________________________
Daniel Gurnon, Ph. D. Associate Professor of Chemistry and Biochemistry DePauw University Greencastle, IN 46135
p: 765-658-6279 e: danielgurnon@depauw.edu <mailto:danielgurnon@depauw.edu>