Bob, the docking and modeling abilities are great.
I think with users issuing a write statement in the console at various points
while doing the docking that this would allow a way to save some of the
intermediates as models so ultimately an animation of the movements can be
replayed forward or backward in some manner as a scene with Jmol without user
interaction later. This would also be useful for when there is already a solved
ligand and you want to simulate the theoretical movements that happened just
before its binding because that makes a great visual to really draw in viewers
to the scene of the action. Is there anyway that eventually making such an
animated scene could be made easier, say with an implemented way of generating
new frames (snapshots) on the fly at certain points specified by the user (or
maybe even automatically when the item being moved has moved certain amount of
distance?) so that no one has to edit in a word processor to generate
multi-model file themselves?
Thanks,
Wayne
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