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]$