Changes

This one-liner splits the file models.pdb into individual pdb files names model_###.pdb.

This one-liner splits the file models.pdb into individual pdb files names model_###.pdb.

grep -n 'MODEL\|ENDMDL' models.pdb |  

'''grep -n 'MODEL\|ENDMDL' models.pdb | '''

cut -d: -f 1 |  

'''cut -d: -f 1 | '''

awk '{if(NR%2) printf "sed -n %d,",$1+1; else printf "%dp > model_%03d.pdb\n", $1-1,NR/2;}' |  

'''awk '{if(NR%2) printf "sed -n %d,",$1+1; else printf "%dp > model_%03d.pdb\n", $1-1,NR/2;}' | '''

bash -sf

'''bash -sf'''

== Perl script ==

== Perl script ==

$base='1g9e';open(IN,"<$base.pdb");@indata = <IN>;$i=0;

'''$base='1g9e';open(IN,"<$base.pdb");@indata = <IN>;$i=0;'''

foreach $line(@indata) {

'''foreach $line(@indata) {'''

if($line =~ /^MODEL/) {++$i;$file="${base}_$i.pdb";open(OUT,">$file");next}

'''if($line =~ /^MODEL/) {++$i;$file="${base}_$i.pdb";open(OUT,">$file");next}'''

if($line =~ /^ENDMDL/) {next}

'''if($line =~ /^ENDMDL/) {next}'''

if($line =~ /^ATOM/ || $line =~ /^HETATM/) {print OUT "$line"}

'''if($line =~ /^ATOM/ || $line =~ /^HETATM/) {print OUT "$line"}'''

}

'''}'''

Back to [[Useful scripts (aka smart piece of code)]]

Back to [[Useful scripts (aka smart piece of code)]]