AutoDock Vina

The AutoDock Vina node enables docking experiments via AutoDock Vina.

Options

Settings

Exhaustiveness
Set the exhaustiveness of the global search. A greater exhaustivness value will lead to an increased computation time.
(Default: 8)
Max. num. of modes
Set the maximum number of binding modes to generate.
(Default: 9)
Max. energy difference
Set the maximum energy difference between the best binding mode and the worst one displayed, in kcal/mol.
(Default: 3)

Active Site Selection

All active sites for which the node should consider for the docking process.
(Default: The biggest active site)

Input Ports

Icon
Table containing the macromolecule(s)
Icon
Table containing the molecule(s) to dock

Output Ports

Icon
Table containing the docking result(s)

Views

This node has no views

Workflows

  • No workflows found

Links

Developers

You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.