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v0.2.0

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@minhuanli minhuanli released this 13 Nov 22:59
· 44 commits to master since this release

A major version bump with:

  1. Better typing hints
  2. Support more flexible constructor, now users can input path strings to pdb/mtz files, or existing PDBparser or rs.Dataset instance
  3. Use getter and setter to make the molecule-related properties more robust
  4. A new savePDB method in SFcalculator, support to directly save refined model out
  5. Bug fixes