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Read a trajectory recording as an MDAnalysis Universe #23

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merged 4 commits into from
Oct 9, 2023

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@jbarnoud jbarnoud commented Oct 9, 2023

MDAnalysis is a powerful tool to analyse MD trajectories. However, there are only limited facilities to allow loading a Narupa trajectory into an MDAnalysis Universe. Indeed, narupa.mdanalysis.converter can create a Universe from a FrameData, but it cannot work with a trajectory, especially not a trajectory as recorded by the rust server or by nanover-recorder.

This commit adds the narupa.mdanalysis.universe module that implements a reader and a parser for Narupa trajectory recordings.

MDAnalysis is a powerful tool to analyse MD trajectories. However, there
are only limited facilities to allow loading a Narupa trajectory into an
MDAnalysis Universe. Indeed, `narupa.mdanalysis.converter` can create a
Universe from a FrameData, but it cannot work with a trajectory,
especially not a trajectory as recorded by the rust server or by
nanover-recorder.

This commit adds the `narupa.mdanalysis.universe` module that implements
a reader and a parser for Narupa trajectory recordings.
@jbarnoud jbarnoud merged commit 90f5558 into main Oct 9, 2023
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@Ragzouken Ragzouken deleted the energy-framedata branch May 20, 2024 11:59
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