Required Parameters

-receptor <receptor file1> [<receptor file2> ...]

Receptor file(s) to dock to. Each receptor must have a bound ligand.

If multiple receptors are specified each docking ligand will be docked into the single receptor with the bound ligand most similar to it, as measured by 3D shape and chemical similarity.

[ Aliases = -rec ]

-dbase <input filename1> [<input filename2> ...]

File(s) containing conformationally expanded ligands to dock (see section Input Preparation).

The following file formats are supported.

File type Extension
OEBinary .oeb .oeb.gz
SDF .sdf .mol .sdf.gz .mol.gz
MOL2 .mol2 .mol2.gz
PDB .pdb .ent .pdb.gz .ent.gz
MacroModel .mmod .mmod.gz

More than one file can be specified.

[ Aliases = -database, -in ]