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This repository was archived by the owner on Apr 29, 2025. It is now read-only.
This repository was archived by the owner on Apr 29, 2025. It is now read-only.

Calculate profiles for trajectories #92

@ConnorPigg

Description

@ConnorPigg

Calculate profile for each frame in a given trajectory. Should leverage the function described by #39. Can be used to generalize the gromacs gmx sans and gmx saxs tools to other trajectories understood by MDAnalysis.

generate_profiles(atom_group, trajectory, profile_property_class):
    # type: (AtomGroup, Trajectory, <T>) -> List[<T>]
    pass

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