#!/bin/csh -f

if ( $#argv != 6 ) then
echo "Usage: " $0 " <BB> <BQ> <SB> <SQ> in.pdb out.pdb"
echo
echo "with:"
echo "<BB> Backbone isotropic B-factor"
echo "<BQ> Backbone occupancy"
echo "<SB> Side chain isotropic B-factor"
echo "<SQ> Side chain occupancy"
exit
endif

if (-e $6) echo $6 "already exists"
if (-e $6) exit

if !(-e $5) echo $5 "does not exist"
if !(-e $5) exit

echo '($3 == "N" || $3== "C" || $3 == "CA" || $3== "O") {id=substr($0,1,54); printf "%54s%6.2f%6.2f\\n",id,'$2','$1} > xXx.awk
echo '!($3 == "N" || $3== "C" || $3 == "CA" || $3== "O") {id=substr($0,1,54); printf "%54s%6.2f%6.2f\\n",id,'$4','$3} >> xXx.awk

grep ATOM $5 | awk -f xXx.awk > $6
\rm xXx.awk

