#awk script to only keep polar hydrogens for UHBD { if ($3 ~/C/ || $3 ~/O/ || $3 ~/N/ || $3 ~/S/){ print } else { if ($3 == "1H" || $3 == "2H" || $3 == "3H" || $3=="H"){ print } if (($4 == "SER" || $4 == "CYS") && ($3 == "HG")){ print } if ($4 == "THR" && $3 == "HG1"){ print } if ($4 == "ASN" && $3 ~/HD/){ print } if ($4 == "LYS" && $3 ~/HZ/){ print } if (($4 ~/ARG/ || $4 ~/TYR/) && ($3 ~/HH/)){ print } if (($4 == "GLN" || $4 == "ARG") && ($3 ~/HE/)){ print } if (($4 == "HIS" && $3 == "HE2") || ($4 == "TRP" && $3 == "HE1")){ print } } }