hstr : Thursday, 31 October, 2024
Thursday, 31 October, 2024
[kevshaw@451]$ history
     1  date
     2  mkdir doc
     3  cd doc
     4  echo "You don't have to do most of this."
     5  wget https://yea4.us/451/data/1dfr.tar.gz
     6  ls
     7  tar xzvf 1dfr.tar.gz
     8  ls
     9  source /usr/local/bin/iwannadock
    10  adt &
    11  ls
    12  prepare-receptor4 -r 1dfr.pdb -A hydrogens -e True
    13  ls
    14  less 1dfr.pdbqt
    15  prepare-ligand4 -A hydrogens -A bonds -l folate.mol2
    16  ls
    17  less folate.mol2
    18  prepare-gpf4 -p spacing='0.375' -p gridcenter='30.324,15.349,-1.286' -p npts='50,60,50' -r 1dfr.pdbqt -l folate.pdbqt
    19  ls
    20  less 1dfr.gpf
    21  prepare-dpf4 -r 1dfr.pdbqt -l folate.pdbqt
    22  ls
    23  less folate_1dfr.dpf
    24  autogrid4 -p 1dfr.gpf
    25  ls
    26  autodock4 -p folate_1dfr.dpf
    27  ls
    28  less folate_1dfr.dlg
    29  cat /proc/cpuinfo
    30  top
    31  w
[kevshaw@451]$ 
<-- Date Index
$GenerationTime = 7 milliseconds.