[kevshaw@451]$ history
     1  w
     2  last -20
     3  w
     4  top
     5  ls
     6  mkdir docking-ex1
     7  cd docking-ex1/
     8  ls
     9  ls -al
    10  gfp -f 6im6
    11  ls
    12  less 6IM6.pdb
    13  grep "^ATOM.* A " 6IM6.pdb
    14  grep "^ATOM.* A " 6IM6.pdb | less
    15  grep "^ATOM.* A " 6IM6.pdb > protein.pdb
    16  less protein.pdb
    17  grep "^HETATM.* B " 6IM6.pdb
    18  grep "^HETATM.* B " 6IM6.pdb | less
    19  grep "^HETATM.* AH3.* B " 6IM6.pdb | less
    20  grep "^HETATM.* B " 6IM6.pdb | less
    21  less 6IM6.pdb
    22  grep "^HETATM.* AH3.* B " 6IM6.pdb > ligand.pdb
    23  ls
    24  python
    25  python3
    26  env
    27  less /usr/local/bin/iwannadock
    28  source /usr/local/bin/iwannadock
    29  prepare-receptor4 -r protein.pdb -A hydrogens -e True
    30  ls
    31  less protein.pdb
    32  less protein.pdbqt
    33  prepare-ligand4 -l ligand.pdb -A hydrogens -A bonds
    34  ls
    35  adt
    36  prepare-gpf4 -p spacing='0.375' -p gridcenter='81.925,158.633,29.175' -p npts='74,84,72' -r protein.pdbqt -l ligand.pdbqt
    37  ls
    38  less protein.gpf
    39  ../hstr -m 325946
[kevshaw@451]$