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3.0.3 - 2022.11.26
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@ale94mleon ale94mleon released this 26 Nov 16:08
· 176 commits to main since this release
3.0.3
60eadf3

Added

  • Warning in case moldrug.utils.Local or moldrug.utils.GA are called with a different MolDrug as they were initialized.

Changed

  • Convert to absolute path receptor_pdbqt_path and vina_executable (in case that it points to a file) inside of moldruf.fitness.__vinadock.

Fixed

  • Bug for hydrogens coordinates when constrain docking was used.
  • Improve docs.
Assets 2