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Calculate profiles for trajectories #92

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ConnorPigg opened this issue Jun 7, 2019 · 0 comments · May be fixed by #98
Open

Calculate profiles for trajectories #92

ConnorPigg opened this issue Jun 7, 2019 · 0 comments · May be fixed by #98

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@ConnorPigg
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ConnorPigg commented Jun 7, 2019 •
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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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92 calculate trajectory profiles jmborr/idpflex
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@ConnorPigg