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]$