hi -- i've just started to use jmol today, and it looks like it will meet my
needs just fine. what i'm trying to do is visualize molecules moving on the
surface of a crystal, and what's nice about jmol is that it will read in all of
the frames, entirely, in my xyz file. (unlike vmd, which only assigns atoms off
of the first frame, and then the IDs never change).
anyway, i have a question. for each frame in my trajectory, i would like to
only update one lattice site at a time, without having to load all the
molecules that didn't move. is there a way to do this?
the information in each frame would only be something like:
convert Atom 1 from an H into a Cu
convert Atom 2 from a Cu into an H
so only 2 lines, instead of 400 (on a 20x20 grid), for each frame.
this would allow me to deal with files representing far more iterations than
before...
thanks for any advice!!
amos.
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