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This one-liner splits the file models.pdb into individual pdb files named model_###.pdb. | This one-liner splits the file models.pdb into individual pdb files named model_###.pdb. | ||
grep -n 'MODEL\|ENDMDL' models.pdb | cut -d: -f 1 | \ | |||
awk '{if(NR%2) printf "sed -n %d,",$1+1; else printf "%dp > model_%03d.pdb\n", $1-1,NR/2;}' | bash -sf | |||
== Bash script == | == Bash script == | ||
i=1 | |||
while read -a line; do | |||
echo "${line[@]}" >> model_${i}.pdb | |||
[[ ${line[0]} == ENDMDL ]] && ((i++)) | |||
done < /path/to/file.pdb | |||
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Should be called as | Should be called as | ||
awk -f script.awk < models.pdb | awk -f script.awk < models.pdb | ||
BEGIN {file = 0; filename = "model_" file ".pdb"} | |||
/ENDMDL/ {getline; file ++; filename = "model_" file ".pdb"} | |||
{print $0 > filename} | |||
== Perl script == | == Perl script == | ||
$base='1g9e';open(IN,"<$base.pdb");@indata = <IN>;$i=0; | |||
foreach $line(@indata) { | |||
if($line =~ /^MODEL/) {++$i;$file="${base}_$i.pdb";open(OUT,">$file");next} | |||
if($line =~ /^ENDMDL/) {next} | |||
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)]] |
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