Converting molecules to Cofactors or Ligands
Molecules are automatically assigned to a category (Proteins, Nucleic acids, Ligands, Cofactors, Docking results, Water molecules) on import. As it is only possible to dock molecules from the Ligands category, molecules assigned to the Proteins, Nucleic acids, Cofactors, and Docking results categories can be manually re-assigned to the Ligands category. This is done from the right-click context menu when the molecule entries are selected in the Project Tree.
Figure 9.26: From the context menu, molecules can be converted to Ligands or Cofactors in the Project Tree.
Likewise, it is only possible to include molecules in the Proteins, Nucleic acids, Water molecules, and Cofactors categories in the Binding Site Setup. Molecules automatically assigned to the Ligands category can therefore be moved to the Cofactors category instead. This is done from the context menu when a ligand has been selected in the Project Tree.