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H5MD implementation #4

@RubenChM

Description

@RubenChM

To solve mmb-irb/MDDB-REST-API#4, H5MD could be used as main file to store the trajectory information of every project.
This would be a big change, so the benefits should justify the new for a system to update the data already stored in the database:

  1. Adding a system to update the database would enable adding new fields for efficiency (mdcount, unique resname/atom names) and syncronize it with changes in the workflow (now PDB references are saved from the workflow instead of fetched).
  2. Having a reference format would enable converting it to other with software like Chemfiles)
  3. Saving storage and transfer bandwidth. H5MD frames can be access while compressed, allowing faster upload/download and need less disk.

Links:

TODO:

  • Upload compression algorithm on a separate conda

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