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3.3.0 - 2022.12.21

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@ale94mleon ale94mleon released this 21 Dec 12:16
· 147 commits to main since this release

Changed

  • moldrug.utils.__tar_errors__ by moldrug.utils.tar_errors.
  • Default value of moldrug.utils.tar_errors is error instead of .error.
  • moldrug.constraintconf.generate_conformers outputs warnings and errors to error instead of .error.
  • moldrug.fitness.__vinadock by moldrug.fitness._vinadock.
  • moldrug.fitness._vinadock outputs warnings and errors to error instead of .error.

Fixed

  • The use of moldrug.utils.tar_errors inside of moldrug.utils.Local and moldrug.utils.GA.
  • Clean code.