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Simulation project file format #1

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franknoe opened this issue Jun 17, 2014 · 0 comments

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Organize all Simu...

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franknoe commented Jun 17, 2014

Define file format for simulation data. A simulation project file should contain:

a pdb
metadata (e.g. simulation conditions, program used, force field, etc)
trajectories

File format should permit:

addition and removal of trajectories
extending trajectories, adding and removing frames.
changing metadata
efficient read and write operations

Examples:

hdf5
compare with MDTraj

franknoe self-assigned this

franknoe added this to the Organize all Simulation Data systematically milestone

franknoe added the enhancement label

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