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