Global Settings

Autodock4 Settings

Go to Edit -> Global Settings -> Autodock4 to set parameters for Autodock4:

adset

In this panel, you can set general parameters and set parameters for each search algorithm.

The meanings of above parameters can be found in AutoDock4 manual. For simplicity, you can use the default value of parameters.

Autodock Vina Settings

Go to Edit -> Global Settings -> Autodock Vina to set parameters for Autodock Vina:

vinaset

QuickVina Settings

Go to Edit -> Global Settings -> QuickVina-W to set parameters for QuickVina:

qvinaset

AutoDockTools Settings

Go to Edit -> Global Settings -> AutoDockTools -> Prepare Receptors to set parameters for receptor preparation:

adtrep

The paramter description can be found in script prepare_receptor4.py.

Go to Edit -> Global Settings -> AutoDockTools -> Prepare Ligands to set parameters for ligand preparation:

adtlig

The parameter description can be found in script prepare_ligand4.py.

Meeko Settings

Go to Edit -> Global Settings -> Meeko -> Prepare Ligands to set parameters for ligand preparation:

meekolig

PDBFixer Settings

Go to Edit -> Global Settings -> PDBFixer to set parameters for PDBFixer:

pdbfixer

PDB2PQR Settings

Go to Edit -> Global Settings -> PDB2PQR -> to set parameters for PDB2PQR:

pdb2pqr