The template was updated to the FastGridTemplate.
(Currently GoldenLayout has a bug)
Internal changes:
Created new classes handling data/parameter flow within the web interface: Source, Transform, View, Opts
Color transforms (colormap + normalize) are now defined on a per-datatype basis (ie one for rfu, dG, ddG, mse). Default color transforms can be changed with the ColorTransformControl control panel.
The NGL protein viewer is now implemented as ReactiveHTML, obviating the need for custom bokeh models
Timepoint zero is by default not selected
New features:
Scatterplot of RFU values per residue.
Create differential HDX ΔΔG comparisons directly.
Download .zip session file and restore session from session file.
Download ΔG/ΔΔG proplot/matplotlib graphs (linear_bars, scatter, rainbowclouds) in .png, .pdf. .svg or .eps format.
Export data tables as hex color code tables (for supported tables)
Export of pymol coloring scripts for RFU values
Refactors:
deltaG was refactored to dG (ddG for deltadeltaG)
Other changes
csv_to_dataframe now also accepts BytesIO objects
local_cluster.default_cluster now accepts additional kwargs
This PR updates the web interface.
The template was updated to the
FastGridTemplate. (Currently GoldenLayout has a bug)Internal changes:
Source,Transform,View,OptsColorTransformControlcontrol panel.ReactiveHTML, obviating the need for custom bokeh modelsNew features:
Refactors:
deltaGwas refactored todG(ddGfordeltadeltaG)Other changes
csv_to_dataframenow also acceptsBytesIOobjectslocal_cluster.default_clusternow accepts additional kwargs