VMD-L Mailing List

From: ed mendez (kubikmaster_at_yahoo.com)
Date: Sun Nov 27 2005 - 06:30:51 CST

Dear guru.

I need to update the colors in a VMD movie.
I know how to select atom types, but these are not
recomputed on each frame! (even by selecting the
option
in "Graphcal Representation/trayectory/update
selection ..."
I have gone crazy changing all king of parameters.

I also tried scripting ...

I have this kind of file:
++1200.00 -339.083299951373 -324.117250351373 400
   1 19.126629536 13.341708439
-1.86849099
   1 18.794706479 10.695376349
-1.91867478
   1 19.164494547 10.678463412
-6.04571171
   1 19.576166433 13.697625200
-6.38105102
   1 20.269629564 14.151608202
-4.69370973
   1 17.709628407 14.786923643
-3.60125832
   1 17.522057529 9.874697656
-4.34441617
   2 20.631618630 10.280194521
-4.99189750
   2 21.506295129 12.334219704
-2.37911664
   2 22.015926712 12.607594983
-5.47867029
  10
++1200.00 -339.083299951373 -324.117250351373 400
   1 19.6629536 13.341708439 -1.486849099
   1 18.4706479 10.695376349 -1.991867478
   1 19.4494547 10.8463412 -6.104571171
   1 19.576166433 12.97625200 -6.738105102
   1 20.269629564 14.1608202 -4.269370973
   1 17.709628407 14.6923643 -3.560125832
   1 17.522057529 9.4697656 -4.234441617
   1 20.631618630 10.280194521
-4.99189750
   1 21.506295129 12.334219704
-2.37911664
   1 22.015926712 12.607594983
-5.47867029

(each frame should get recomputed atom types).
If this is not possible, how can I read these from
different files, and then
visualize in a simulation one at a time?.
I would like to do this for files containing hundreds
of atoms, and hundreds of frames,
so doing this manually is not an option :(

Your help would be appreciated.

Eduardo Mendez
The Sailor from the Prairies
U of S. Chemistry

        
                
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