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PyHDX version 0.4.0

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@Jhsmit Jhsmit released this 20 Apr 14:48
· 219 commits to master since this release

Release v0.4.0 is the combination of 9 beta versions, spanning a total of ~10 months of PyHDX development.
Please refer to the individual beta releases for more detail.

Major improvements of the new version 0.4.0 release are:

Base PyHDX:

  • Batch fitting of multiple large HDX datasets (+ GPU support)
  • Batch processing of large HDX datasets through .yaml file spec
  • Added $pyhdx process CLI command (early alpha feature)
  • Added plotting and pdf output modules
  • Major API changes

PyHDX-web:

  • Two complete overhauls of the web interface, improving internal logic of the web interface
  • Updated the GoldenLayout template to a combination of panel's GoldenLayout and the elvis golden layout
  • Addition of the PDBeMolstar protein viewer, allowing direct export of colored structures
  • Direct output of publication quality graphs from the web interface
  • Create differential HDX datasets (ΔΔG / ΔRFU)

This release:

  • Updated docs and docstrings, introduced PEP483 type hints (#271)
  • Update to panel version 0.13.0 (#264)
  • Added black, mypy, flake8, (isort) linters