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@minhuanli minhuanli released this 05 Jan 21:48
· 1 commit to master since this release
v0.2.2
4aba80c
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Learn about vigilant mode.

New Features:

  1. support cryoem mode, using electron scattering factor
  2. support mmcif file as PDB input, cif file as reflection input
  3. support to skip the solvent calculation, even in batch calculation
  4. a new get_rfactor method

Bug Fix:

  1. Handle edge case where no space group in PDB file
  2. More tolerance in cell isomorphism check
  3. Take care of systematic absence indices
  4. Write PDB with TER records

Full Changelog: v0.2.1...v0.2.2

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