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1.0.6

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@danielparton danielparton released this 16 Oct 00:55
· 76 commits to master since this release
  • New validation module which wraps MolProbity
  • Packaging functions can now filter models based on validation score
  • Implemented CLI function mktraj, which wraps the class MkTraj - used for writing models as XTC-format trajectories
  • Various minor changes and bug fixes