Hi
herez my data and i am having a problem
#!/usr/bin/perl -w
foreach $name (@ARGV) {
$i=0;
open(PDB,"$name") ;
while ($line = <PDB>) {
if ($line =~ /ATOM/) {
($title, $num, $atom, $acid, $rest) = split(/\s+/, $line, 5);
if ($atom eq "CA") {
push @aminos,$acid ;
$i++;
}
}
}
print $i."\n";
}
foreach $amino (@aminos){
print "$energies{$amino}->{$amino} ";
}
%energies = (
"CYS" => {"CYS" => "111.4", "VAL" => "31.5", "ILE" => "31.0", "LEU" => "27.4",
"PHE" => "35.3", "MET" => "26.1", "TYR" => "30.3", "ALA" => "19.2", "TRP" =>
"25.9", "HIS" => "11.4", "THR" => "1.5", "ARG" => "6.6", "PRO" => "0.2",
"GLN" => "6.3", "SER" => "2.6", "GLY" => "3.0", "ASN" => "7.0", "GLU" => "
12.2", "LYS" => "12.3", "ASP" => "7.4", },
"VAL" => {"CYS" => "41.3", "VAL" => "36.7", "ILE" => "35.9", "LEU" => "29.2",
"PHE" => "26.0", "MET" => "23.0", "TYR" => "25.1", "ALA" => "13.4", "TRP" =>
"22.1", "HIS" => "1.0", "THR" => "3.9", "ARG" => "5.4", "PRO" => "8.4",
"GLN" => "8.6", "SER" => "5.5", "GLY" => "11.4", "ASN" => "10.7", "GLU" => "
13.4", "LYS" => "12.6", "ASP" => "14.8", },
"ILE" => {"CYS" => "39.5", "VAL" => "35.5", "ILE" => "35.7", "LEU" => "29.5",
"PHE" => "25.3", "MET" => "22.8", "TYR" => "24.1", "ALA" => "12.7", "TRP" =>
"21.3", "HIS" => "0.6", "THR" => "4.7", "ARG" => "5.6", "PRO" => "8.9",
"GLN" => "9.0", "SER" => "6.2", "GLY" => "12.7", "ASN" => "11.3", "GLU" => "
13.5", "LYS" => "12.6", "ASP" => "15.0", },
"LEU" => {"CYS" => "39.5", "VAL" => "31.1", "ILE" => "31.9", "LEU" => "27.8",
"PHE" => "23.6", "MET" => "21.8", "TYR" => "22.3", "ALA" => "13.0", "TRP" =>
"20.1", "HIS" => "0.9", "THR" => "5.3", "ARG" => "5.7", "PRO" => "9.2",
"GLN" => "8.2", "SER" => "5.1", "GLY" => "11.5", "ASN" => "10.1", "GLU" => "
12.4", "LYS" => "12.3", "ASP" => "13.3", },
"PHE" => {"CYS" => "39.2", "VAL" => "27.5", "ILE" => "27.2", "LEU" => "23.2",
"PHE" => "21.5", "MET" => "18.9", "TYR" => "21.0", "ALA" => "11.4", "TRP" =>
"18.4", "HIS" => "0.4", "THR" => "5.3", "ARG" => "6.5", "PRO" => "8.0",
"GLN" => "8.7", "SER" => "4.1", "GLY" => "9.4", "ASN" => "9.3", "GLU" => "
12.5", "LYS" => "12.2", "ASP" => "11.9", },
"MET" => {"CYS" => "36.3", "VAL" => "25.7", "ILE" => "25.5", "LEU" => "22.4",
"PHE" => "19.4", "MET" => "18.8", "TYR" => "19.0", "ALA" => "11.2", "TRP" =>
"17.3", "HIS" => "0.5", "THR" => "5.7", "ARG" => "5.6", "PRO" => "8.7",
"GLN" => "7.7", "SER" => "4.2", "GLY" => "10.3", "ASN" => "8.8", "GLU" => "
11.4", "LYS" => "11.2", "ASP" => "11.6", },
"TYR" => {"CYS" => "37.4", "VAL" => "24.6", "ILE" => "23.7", "LEU" => "19.9",
"PHE" => "19.1", "MET" => "16.6", "TYR" => "19.8", "ALA" => "10.2", "TRP" =>
"16.9", "HIS" => "0.0", "THR" => "5.3", "ARG" => "6.5", "PRO" => "7.7",
"GLN" => "8.4", "SER" => "3.9", "GLY" => "8.8", "ASN" => "8.6", "GLU" => "
11.6", "LYS" => "11.7", "ASP" => "10.7", },
"ALA" => {"CYS" => "38.6", "VAL" => "23.7", "ILE" => "23.0", "LEU" => "20.9",
"PHE" => "18.9", "MET" => "17.8", "TYR" => "18.9", "ALA" => "15.4", "TRP" =>
"17.6", "HIS" => "0.2", "THR" => "5.2", "ARG" => "4.9", "PRO" => "9.3",
"GLN" => "7.4", "SER" => "1.6", "GLY" => "6.0", "ASN" => "8.1", "GLU" => "
10.7", "LYS" => "10.9", "ASP" => "10.7", },
"TRP" => {"CYS" => "37.4", "VAL" => "23.8", "ILE" => "23.2", "LEU" => "19.7",
"PHE" => "18.4", "MET" => "16.2", "TYR" => "19.1", "ALA" => "9.9", "TRP" =>
"17.0", "HIS" => "0.3", "THR" => "5.5", "ARG" => "6.9", "PRO" => "7.4",
"GLN" => "8.6", "SER" => "3.8", "GLY" => "9.0", "ASN" => "8.8", "GLU" => "
11.7", "LYS" => "12.1", "ASP" => "10.7", },
"HIS" => {"CYS" => "30.5", "VAL" => "16.1", "ILE" => "14.1", "LEU" => "11.8",
"PHE" => "12.3", "MET" => "10.5", "TYR" => "13.2", "ALA" => "6.8", "TRP" =>
"9.8", "HIS" => "0.7", "THR" => "5.7", "ARG" => "6.0", "PRO" => "8.2", "GLN"
=> "7.8", "SER" => "2.4", "GLY" => "7.5", "ASN" => "6.1", "GLU" => "10.7",
"LYS" => "10.5", "ASP" => "8.0", },
"THR" => {"CYS" => "27.1", "VAL" => "16.2", "ILE" => "13.6", "LEU" => "10.9",
"PHE" => "11.0", "MET" => "9.3", "TYR" => "12.3", "ALA" => "6.7", "TRP" => "
9.0", "HIS" => "1.5", "THR" => "2.6", "ARG" => "5.4", "PRO" => "7.3", "GLN"
=> "7.3", "SER" => "0.8", "GLY" => "8.0", "ASN" => "5.2", "GLU" => "10.1",
"LYS" => "10.1", "ASP" => "7.0", },
"ARG" => {"CYS" => "23.8", "VAL" => "14.6", "ILE" => "12.3", "LEU" => "10.4",
"PHE" => "9.8", "MET" => "9.6", "TYR" => "10.8", "ALA" => "6.4", "TRP" => "
8.6", "HIS" => "1.1", "THR" => "5.5", "ARG" => "3.1", "PRO" => "8.8", "GLN"
=> "6.5", "SER" => "2.1", "GLY" => "8.3", "ASN" => "5.3", "GLU" => "10.0",
"LYS" => "7.9", "ASP" => "9.0", },
"PRO" => {"CYS" => "26.7", "VAL" => "14.3", "ILE" => "12.5", "LEU" => "9.1",
"PHE" => "10.1", "MET" => "8.2", "TYR" => "10.0", "ALA" => "4.9", "TRP" => "
8.9", "HIS" => "1.2", "THR" => "5.3", "ARG" => "7.8", "PRO" => "2.0", "GLN"
=> "8.5", "SER" => "2.1", "GLY" => "6.2", "ASN" => "7.3", "GLU" => "10.0",
"LYS" => "10.4", "ASP" => "7.5", },
"GLN" => {"CYS" => "24.0", "VAL" => "13.1", "ILE" => "11.2", "LEU" => "10.0",
"PHE" => "9.2", "MET" => "8.9", "TYR" => "10.4", "ALA" => "6.3", "TRP" => "
8.3", "HIS" => "1.4", "THR" => "6.1", "ARG" => "4.8", "PRO" => "9.0", "GLN"
=> "6.0", "SER" => "2.8", "GLY" => "8.4", "ASN" => "5.3", "GLU" => "8.3",
"LYS" => "8.9", "ASP" => "6.8", },
"SER" => {"CYS" => "28.2", "VAL" => "11.7", "ILE" => "8.8", "LEU" => "7.9",
"PHE" => "8.9", "MET" => "7.8", "TYR" => "10.5", "ALA" => "7.3", "TRP" => "
7.6", "HIS" => "1.6", "THR" => "3.0", "ARG" => "5.9", "PRO" => "7.1", "GLN"
=> "7.1", "SER" => "3.0", "GLY" => "5.3", "ASN" => "4.3", "GLU" => "9.3",
"LYS" => "10.0", "ASP" => "4.9", },
"GLY" => {"CYS" => "30.7", "VAL" => "11.1", "ILE" => "7.8", "LEU" => "6.0",
"PHE" => "8.8", "MET" => "7.1", "TYR" => "9.8", "ALA" => "7.3", "TRP" => "
8.4", "HIS" => "2.9", "THR" => "7.3", "ARG" => "8.2", "PRO" => "7.1", "GLN"
=> "9.0", "SER" => "1.5", "GLY" => "1.2", "ASN" => "6.9", "GLU" => "10.8",
"LYS" => "11.6", "ASP" => "8.4", },
"ASN" => {"CYS" => "23.5", "VAL" => "11.5", "ILE" => "8.6", "LEU" => "7.1",
"PHE" => "7.8", "MET" => "6.2", "TYR" => "9.5", "ALA" => "4.0", "TRP" => "
6.4", "HIS" => "1.9", "THR" => "5.2", "ARG" => "6.1", "PRO" => "8.7", "GLN"
=> "7.2", "SER" => "1.3", "GLY" => "7.6", "ASN" => "3.4", "GLU" => "9.2",
"LYS" => "10.1", "ASP" => "4.8", },
"GLU" => {"CYS" => "21.3", "VAL" => "10.8", "ILE" => "8.7", "LEU" => "7.4",
"PHE" => "7.4", "MET" => "6.7", "TYR" => "8.7", "ALA" => "5.3", "TRP" => "
6.8", "HIS" => "1.8", "THR" => "5.8", "ARG" => "5.3", "PRO" => "7.9", "GLN"
=> "5.8", "SER" => "2.3", "GLY" => "7.7", "ASN" => "4.5", "GLU" => "6.0",
"LYS" => "9.1", "ASP" => "3.7", },
"LYS" => {"CYS" => "20.3", "VAL" => "10.9", "ILE" => "8.5", "LEU" => "7.0",
"PHE" => "7.0", "MET" => "7.2", "TYR" => "8.1", "ALA" => "5.3", "TRP" => "
5.8", "HIS" => "1.5", "THR" => "5.6", "ARG" => "3.0", "PRO" => "8.2", "GLN"
=> "5.7", "SER" => "1.7", "GLY" => "7.3", "ASN" => "4.4", "GLU" => "8.7",
"LYS" => "6.7", "ASP" => "7.3", },
"ASP" => {"CYS" => "22.2", "VAL" => "8.1", "ILE" => "5.3", "LEU" => "4.8",
"PHE" => "5.7", "MET" => "4.4", "TYR" => "8.0", "ALA" => "4.1", "TRP" => "
4.6", "HIS" => "2.7", "THR" => "4.9", "ARG" => "7.2", "PRO" => "8.2", "GLN"
=> "6.5", "SER" => "0.1", "GLY" => "7.1", "ASN" => "2.7", "GLU" => "6.0",
"LYS" => "10.6", "ASP" => "0.2", },
);
now i am getting errors here. So where i am going wrong??
thanks
Saurabh
On 3/15/06, Mr. Shawn H. Corey <[EMAIL PROTECTED]> wrote:
>
> Ben Marsh wrote:
> > %hash = ( "key" => {"key1" => value} );
> >
> > To define a hash use () brackets the second hash is inserting not a hash
> but a
> > reference to a hash so you use {} brackets.
> >
> > You refer to 'value' it as $hash{key}->{key1}. $hash{key} is a scalar
> > contains a reference pointing to a hash (so $hash{key}->{ }) and the
> > key is key1 (so $hash{key}->{key1}).
> >
> > Regards,
> >
> > Ben Marsh
>
> You can also use $hash{key}{key1} = value; What notation you use is up
> to you.
>
> --
>
> Just my 0.00000002 million dollars worth,
> --- Shawn
>
> "For the things we have to learn before we can do them,
> we learn by doing them."
> Aristotle
>
> "The man who sets out to carry a cat by its tail learns something that
> will always be useful and which will never grow dim or doubtful."
> Mark Twain
>
> "Believe in the Divine, but paddle away from the rocks."
> Hindu Proverb
>
> * Perl tutorials at http://perlmonks.org/?node=Tutorials
> * A searchable perldoc is at http://perldoc.perl.org/
>
>
> --
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>
