Parameterized Dock input file
score_ligand $score_ligand
minimize_ligand $minimize_ligand
multiple_ligands $multiple_ligands
anchor_search $anchor_search
torsion_drive $torsion_drive
clash_overlap $clash_overlap
conformation_cutoff_factor $conformation_cutoff_factor
torsion_minimize $torsion_minimize
match_receptor_sites $match_receptor_sites
random_search $random_search
maximum_cycles $maximum_cycles
ligand_atom_file ${ligand_number}.mol2
receptor_site_file $HOME/dock_inputs/${receptor_site_file}
score_grid_prefix $HOME/dock_inputs/${score_grid_prefix}
vdw_definition_file vdw.defn
chemical_definition_file chem.defn
chemical_score_file chem_score.tbl
flex_definition_file flex.defn
flex_drive_file flex_drive.tbl
ligand_contact_file dock_cnt.mol2
ligand_chemical_file dock_chm.mol2
ligand_energy_file dock_nrg.mol2