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@maurerv maurerv released this 14 Jun 12:22
· 38 commits to main since this release
v0.2.1
296c1a5

Version 0.2.1 introduces a range of new filters, improves interoperability, and addresses minor issues.

Enhancements

  • match_template.py can perform 3D CTF correction.
  • New reconstruction filters reducing artifact introdution.
  • postprocess.py can oversample and locally refine peaks to subvoxel / sub angular sampling precision.
  • Improved interoperability between dynamo, relion and pytme via tme.Orientations.

API Changes

  • tme.Density.centered now pads to odd box shapes, which improves the stability of peak estimates.
  • tme.MatchingData handles additional init parameters to avoid potentially unexpected interactions with setters.
  • tme.backends data type naming scheme was changed to more accurately reflect the underlying fundamental data type.

Documentation

  • Added code examples to Density / MatchingData / Exhaustive Matching and Orientations

Bug Fixes

  • Fixed an issue where match_template.py would crash when specifying target_masks. This was caused by a specific interaction of the OS with the underlying memmap (Thanks to Xiaohan for reporting).
  • Fixed an issue where postprocess.py would crash when specifying a minimum score cutoff. To avoid this moving forward, match_template.py and postprocess.py are now tested together with the API.
  • Fixed an issue where tme.preprocessing._utils.fftfreqn would create grids of incorrect dimensions.
  • skimage.io.imread raises a ValueError or OSError depending on the underlying OS when encountering an incorrect input. This would prevent users from running postprocess.py on atomic structures.
  • Fixed an issue where bandpass filter creation would fail when only specifying lowpass or highpass cutoff.
  • Fixed a performance issue when peak calling on GPU
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