Extract ligands
With the "Extract Ligands" tool it is possible to extract all ligands from one or more Molecule Projects. To run the "Extract Ligands" tool:
Toolbox | Drug Design (
) | Extract Ligands (
)
The Extract Ligands tool takes one or more Molecule Projects as input (figure 10.68). The output is a Molecule Table listing all molecules found in the Ligands category in each of the Molecule Projects. The ligand properties can then be easily compared in the table, and the table can be used as input for the Dock Ligands or Screen Ligands tools.
Figure 10.68: Select Molecule Projects with ligands to extract.