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v0.2.0
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@maurerv maurerv released this 25 Apr 21:05
· 60 commits to main since this release
v0.2.0
ec4e2e7

Version 0.2.0 provides a new interface for dealing with orientations in 3D space, quality of life improvements to the GUI and fixes a critical performance issue introduced in a previous version.

Enhancements

  • New Orientations class provides a convenient interface for converting between different file formats, namely tsv, relion star and dynamo tbl.
  • Severe runtime decrease (2-3 times) for scoring methods affected by an issue in cupy.std, including scores computed using tme.matching_exhaustive.corr_scoring and tme.matching_exhaustive.flc_scoring.
  • Revised interface for various command line options. New sampling and filtering functionalities in match_template.py
  • The preprocessing GUI can now automatically import pickle files created by match_template.py, read all formats supported by tme.density.Density.from_file and provides additional functionalities for alignment.

API Changes

  • Moved Orientations class from postprocess.py to tme.orientations.Orientations.
  • tme.matching_optimization was refactored to allow individual scoring objects to be setup more easily and to facilitate the usage of different optimizers.
  • tme.preprocessing.Compose introduces composable filters that were made accessible via match_template.py.

Documentation

  • init methods of classes defined in tme.matching_optimization are correctly displayed.
  • Inheritance structure is made more obvious.
  • Attributes are now correctly documented for dataclasses.
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