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PyHDX version 0.4.0 beta5

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@Jhsmit Jhsmit released this 01 Dec 10:40
· 419 commits to master since this release
v0.4.0b5
5c944f1

This release features mostly an overhaul of the web interface (#234).

Internal changes:

  • Created new classes handling data/parameter flow within the web interface: Source, Transform, View, Opts
  • Added a Constructor class which generates the web application from a yaml spec file
  • 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
  • The template was updated to the FastGridTemplate.

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
  • Various bugfixes

Full Changelog: v0.4.0b4...v0.4.0b5

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