dtraj - Discrete trajectories functions (msmtools.dtraj)

Discrete trajectory io

read_discrete_trajectory(filename) Read discrete trajectory from ascii file.
read_dtraj(filename) Read discrete trajectory from ascii file.
write_discrete_trajectory(filename, dtraj) Write discrete trajectory to ascii file.
write_dtraj(filename, dtraj) Write discrete trajectory to ascii file.
load_discrete_trajectory(filename) Read discrete trajectory form binary file.
load_dtraj(filename) Read discrete trajectory form binary file.
save_discrete_trajectory(filename, dtraj) Write discrete trajectory to binary file.
save_dtraj(filename, dtraj) Write discrete trajectory to binary file.

Simple statistics

count_states(dtrajs[, ignore_negative]) returns a histogram count
visited_set(dtrajs) returns the set of states that have at least one count
number_of_states(dtrajs[, only_used]) returns the number of states in the given trajectories.
index_states(dtrajs[, subset]) Generates a trajectory/time indexes for the given list of states

Sampling trajectory indexes

sample_indexes_by_distribution(indexes, …) Samples trajectory/time indexes according to the given probability distributions
sample_indexes_by_state(indexes, nsample[, …]) Samples trajectory/time indexes according to the given sequence of states
sample_indexes_by_sequence(indexes, sequence) Samples trajectory/time indexes according to the given sequence of states