MDAnalysis / pmda

Parallel algorithms for MDAnalysis
https://www.mdanalysis.org/pmda/
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parallel dihedral featurizer #45

Open orbeckst opened 6 years ago

orbeckst commented 6 years ago

Parallelize obtaining a timeseries of dihedral angles, e.g.

This will be useful for Ramachandran maps and dihedral PCA and other dimensionality reduction.