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PyHDX version 0.4.0 beta4

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@Jhsmit Jhsmit released this 18 Oct 16:26
· 604 commits to master since this release
v0.4.0b4
5b21c26
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Major changes to plotting: (#232)

  • Added functions for making standard output plots in the plot.py module

  • Added functions for default colormaps and normalizers; defined default colormaps for standard data types (rfu, dG, ddG)

  • Added plotting class FitResultPlot which makes it easier to generate plots from a fit result

  • Updated the pdf output class (now named FitReport) which allows all standard plots to be combined into a .pdf file

  • SingleFitResult and BatchFitResult are now merged into one object.

Changes:

  • Switched to pandas DataFrame instead of numpy structured arrays for data object's internal tables (#227)
  • Refactored uptake_corrected to d_exp for FD-corrected D-uptake values (#227)
  • Properties rfu_residues, rfu_peptides are now pandas Series objects (#227)
  • Removed python 3.6 support (#227)
  • Added option to filter input data (peptide table data) in batch processing (8fa9c5b)
  • Fitting can be done on a specific device (ie CUDA GPU) and the fitting dtype can be specified (float32/float54) (#231)
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