Jhsmit / PyHDX

Derive ΔG for single residues from HDX-MS data
http://pyhdx.readthedocs.io
MIT License
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Pyhdx process cli interface #263

Open Jhsmit opened 2 years ago

Jhsmit commented 2 years ago

It should be possible to invoke pyhdx from the command line

Something like:

$ pyhdx process <jobfile.yaml> <data_spec.yaml>

where data_spec specifies files / temperature / pH etc, where files should be in the same directory and jobfile specifies which type of fitting to do