Creating an easier interface for hdf5 files

GMPavanLab / cpctools

System analysis with soap fingerprints

MIT License

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Open Iximiel opened 1 year ago

Iximiel commented 1 year ago

This should be the 0.1 feature:

[ ] A way for the user to get and interact easier with trajectories out of the hdf5 files
[ ] An instrument that reads the groups and makes some assumptions about their content, to show the user faster the content of the files
[ ] I should not over-engineer this
[ ] Maybe create a reader compatible with MDA

Iximiel commented 1 year ago

This may not be a necessary feature in the short term, the code now has methods to extract auxiliary information from the trajectories groups