hstr : Tuesday, 2 November, 2021
Tuesday, 2 November, 2021
[kevshaw@451]$ history
     1  cd doc
     2  source /usr/local/bin/iwannadock
     3  adt &
     4  ls
     5  less 1RH3.pdbqt
     6  ls
     7  less 194127510.mol2
     8  prepare-ligand4 -l 194127510.mol2 -A hydrogens -A bonds
     9  ls
    10  less 194127510.pdbqt
    11  prepare-gpf4 -p spacing='0.375' -p gridcenter='15.812,21.694,36.000' -p npts='118,96,126' -r 1RH3.pdbqt -l 194127510.pdbqt
    12  ls
    13  less 1RH3.gpf
    14  prepare-dpf4 -r 1RH3.pdbqt -l 194127510.pdbqt
    15  ls
    16  less 194127510_1RH3.dpf
    17  ps
    18  ls
    19  less 194127510_1RH3.dpf
    20  autogrid4 -p 1RH3.gpf
    21  w
    22  autodock4 -p 194127510_1RH3.dpf
    23  history
    24  ls
    25  less 194127510_1RH3.dlg
    26  wget https://yea4.us/451/data/param-1rh3
    27  vina
    28  vina --config param-1rh3 --ligand 194127510.pdbqt
    29  ls
    30  less 194127510_out.pdbqt
[kevshaw@451]$ 
<-- Date Index
$GenerationTime = 6 milliseconds.