PyHDX

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It should be possible to invoke pyhdx from the command line Something like: ``` $ pyhdx process ``` where `data_spec ` specifies files / temperature / pH etc, where files...

Jhsmit

Supported types should be: - DynamX csv - HDExaminer csv - Some open standard csv format? unify column headers? Also, there should be some option/assumption on the time units.

Jhsmit

Correct k_int for percentage D

2

Check literature for influence of deuteration percentage on the intrinsic rate of exchange

Jhsmit

There should be an option to synchronize x range on all graphs with residue numbers

Jhsmit

view vertical line in both plots during mouseover event

2

Jhsmit

allow export of k_int

2

add callback in export window

Jhsmit

standardize

Jhsmit

pytorch diff eqns

1

github.com/diffeqml/torchdyn

Jhsmit

Exported dataframes with r_numbers should have sequence information in them

2

When dataframe with fit results are generated, sequence information should be added as well. This makes reading and aligning/checking data in further postprocessing steps easier. For global fitting, that should...

Jhsmit

Relay error messages to log in GUI

1

At the moment there is no feedback to users when they, for example, upload a wrongly formatted input data file. Error messages should be relayed to the logging window via...

Jhsmit