Discretization
Scripts that either discretize MD trajectories or that work with discretized trajectories.
Scripts that create discretized trajectories
Create a discrete posotion trajectory. |
Scripts that process discretized trajectories
Plot scripts
Plot on which discrete hexagonal site a compounds resides as function of time and space in a scatter plot. |
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Plot in which discrete position bin a compounds resides as function of time. |
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Plot the lifetime autocorrelation function of discrete states as function of lag time. |
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Plot the lifetime autocorrelation function of discrete states as function of another set of discrete states. |
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Plot the number of transitions leading into or out of a given state for each frame in a discrete trajectory as function of time. |