View source for Split NMR-style multiple model pdb files into individual models

This assumes that you have a correctly formatted pdb file that contains both MODEL and ENDMDL records.  



== Bash/awk one-liner ==


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 ==

'''i=1'''

'''while read -a line; do'''

'''    echo "${line[@]}" >> model_${i}.pdb'''

'''    [[ ${line[0]} == ENDMDL ]] && ((i++))'''

'''done < /path/to/file.pdb'''


== Awk script ==

Should be called as 

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 ==

'''$base='1g9e';open(IN,"<$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"}'''

'''}'''


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