3.0.3 - 2022.11.26

ale94mleon released this 26 Nov 16:08

· 179 commits to main since this release

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