SHELL

awk pdb format

    awk '{printf "%4s%7.0f%3s%6s%2s%4.0f%12.3f%8.3f%8.3f%6.2f%7.2f
", $1, $2, $3, $4, $5, $6, $7, $8, $9, $10, $11}' < xxx.pdb >> new.pdb