Hi all,

I would like to use Pymol to visualize 3D simulation of lattice-based diffusion of molecules. The simulator provides the 3D coordinates (or the translational direction since they have fixed diffusion distance) of the molecules at everytime step. At the end of the simulation, I would like to feed the coordinates (or the translational direction) to Pymol using a python script and make a movie of this.

What is a good way of implementing this with Pymol with lowest computational cost because there are about 4000 protein molecules altogether? I have come across a sample script at http://www.rubor.de/bioinf/tips_python.html#chempy which I think I can use to place the atoms/molecules in pymol. I am wondering if there is any other cost effective way of implementing this? Is it possible just to provide the translational angle and distance for certain molecules already in the model?

Thanks in advance.
satya

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