hstr : Thursday, 2 November, 2023
Thursday, 2 November, 2023
[kevshaw@451]$ history
     1  date
     2  cd mm
     3  mkdir mm
     4  cd mm
     5  wget http://mackerell.umaryland.edu/download.php?filename=CHARMM_ff_params_files/charmm36-jul2022.ff.tgz
     6  ls
     7  less download.php\?filename\=CHARMM_ff_params_files/charmm36-jul2022.ff.tgz
     8  cd
     9  rm -rf mm
    10  mkdir doc
    11  cd doc
    12  ls /etc
    13  ls /etc/bash
    14  ls /etc/bash*
    15  cat /etc/bashrc
    16  cat /etc/bashrc | less
    17  ls ~/.bashrc
    18  source /usr/local/bin/iwannadock
    19  ls
    20  wget https://yea4.us/451/data/1dfr.tar.gz
    21  ls
    22  gzip -dv 1dfr.tar.gz
    23  tar xvf 1dfr.tar
    24  prepare-receptor4 -r 1dfr.pdb -A hydrogens -e True
    25  ls
    26  less 1dfr.pdbqt
    27  less folate.mol2
    28  prepare-ligand4 -A hydrogens -A bonds -l folate.mol2
    29  ls
    30  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
    31  ls
    32  less 1dfr.gpf
    33  prepare-dpf4 -r 1dfr.pdbqt -l folate.pdbqt
    34  ls
    35  less folate_1dfr.dpf
    36  autogrid4 -p 1dfr.gpf
    37  ls
    38  autodock4 -p folate_1dfr.dpf
    39  ls
    40  less folate_1dfr.dlg
    41  summerize-results4 -d .
    42  summarize-results4 -d .
    43  ls
[kevshaw@451]$ 
<-- Date Index
$GenerationTime = 7 milliseconds.