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]$