Thank you, Bruno and Tsjerk. I found both approaches work very well.

Eric

Frankly, with Pymol, people don't as far as I know. What I usually do is determine for the first frame of the individual pdb files (obtained with trjconv -sep) the orientation, viewing point and appearance. This I save
in a .pml script. Then with a bit of python code, looping over the
frames, calling them, processing the script, raytrace, write the image
and delete the object again. It's at present the best I can think of. It
appears that Dino is capable of processing a gromacs trajectory and
outputting raytraced frames, but I haven't felt like starting at the
bottom of that learning curve...

To help out a bit, the loop code could look like this:

for i in range(nr_of_frames):
   cmd.load('frame_' + repr(i) '.pdb', 'prot')
   cmd.do('@script.pml')
   cmd.delete('prot')

Everything to go in script.pml could ofcourse also be explicitly given
in the loop...

Hope it helps,

Tsjerk


Reply via email to