contact_map
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Smarter loading for Dask based implementations
As mentioned in #101 , there are some limitations on the DaskContactFrequency, mainly:
- The whole trajectory has to fit into memory as it is loaded once to figure out the length and then for every worker to slice out their trajectory.
- We only support the loading of 1 trajectory file at the moment.
Both these issues should be solvable with a somewhat smart implementation of mdtraj.iterload
with a sensible skip
and splitting out trajectories.