Error during runing a script for docking
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1
Entering edit mode
2.3 years ago
Bhanu ▴ 10

I have run a script for docking purpose but it did not work. I have attached the script and also the error message. IF anybody have idea pla help. Script;:

#!/usr/bin/perl     -w
use strict;
my @file = `cat $ARGV[0]`;
chomp $ARGV[1];
for(my$i=0;$i<@file;$i++)
{
        chomp $file[$i];
        system ("pythonsh prepare_ligand4.py -l $file[$i]");
        print ("python prepare_ligand4.py -l $file[$i]\n");
        my @name = split (/\./,$file[$i]);
        my $name1 = "$name[0].pdbqt";
        my $name11 = "$ARGV[1].pdbqt";
        system ("pythonsh prepare_dpf4.py -l $name1 -r $name11 ");
        print ("python prepare_dpf4.py -l $name1 -r $name11 -p ga_num_evals=25000 -p ga_run=2\n");
        my $name2 = "$name[0]_$ARGV[1].dpf";
        my $name3 = "$name[0]_$ARGV[1].dlg";
        system ("autodock4 -p $name2 -l $name3");
        print ("autodock4 -p $name2 -l $name3\n");
}

Error i got:

drriturajlab@drriturajlab-CELSIUS-M740power:~/Desktop/docking$ perl autodockrun.pl list 6boj.pdbqt
Can't exec "pythonsh": No such file or directory at autodockrun.pl line 8.
python prepare_ligand4.py -l rutin.pdb
Can't exec "pythonsh": No such file or directory at autodockrun.pl line 13.
python prepare_dpf4.py -l rutin.pdbqt -r 6boj.pdbqt.pdbqt -p ga_num_evals=25000 -p ga_run=2
Can't exec "autodock4": No such file or directory at autodockrun.pl line 17.
autodock4 -p rutin_6boj.pdbqt.dpf -l rutin_6boj.pdbqt.dlg
drriturajlab@drriturajlab-CELSIUS-M740power:~/Desktop/docking$ 
AUTODOCK docking MOlecular • 567 views
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Entering edit mode

Check your installation, it seems an installation problem with your PATH.

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