Required Parameters¶
-
-receptor
<receptor file>
¶ All molecules will be docked to this receptor.
[ Aliases = -rec ]
-
-dbase
<input filename1> [<input filename2> ... ]
¶ File(s) containing ligands to dock (see section Ligand 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 ]