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alchemistry / fileformat

File formats for free energy calculations, molecular simulations, etc.
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Requirements: JSON-like storage #6

Open avirshup opened 8 years ago

avirshup commented 8 years ago

For text-based transmission, molecules should be stored as JSON.

In binary files (e.g., HDF5), molecules should be stored in an identical data structure that can be converted directly to JSON.

avirshup commented 8 years ago

@jchodera from slack:

Are there guides or standards on "best JSON practices" you folks are following or can recommend?

The best I've come up with so far is the Google JSON style guide, which, although not exactly describing what we're doing, still has a lot of good ideas and practices: https://google.github.io/styleguide/jsoncstyleguide.xml