#! /bin/sh
# Mike Oz McGill University August 2003
# Caveat assumes first residue in sequence file is 
# numbered as 1, any other referencing need to alter value of i in the line with
#"while (getline" command "resnuma[i] = i" e.g. as 'resnuma[i] = i+5"
if [ $# != 2 ]
    then
      echo "usage: nmr2bmrb.s <seq> <nmrview ppm file>"
      exit 1
fi


nawk ' 
BEGIN{
OFS=" "
FS=" "        
RS = "\n"
#	print "#Res \t S2(exp) \t\t dS2(exp) "
#  file1  =ARGV[1] 
#  ARGV[1]=""
#  file2  =ARGV[2] 
#  ARGV[2]=""

i=0
j=0

while (getline < ARGV[1] > 0){ i++; resnama[i] = $1;split($1,p1,":");resnuma[i] = i; atnama[i] = $1; 
mike[i]= toupper(atnama[i])
}
 nra=i

while (getline < ARGV[2] > 0){ j++;sub(/\./," ");gsub(/HN/,"H "); resnamb[j] = $1;split($1,p2,":");resnumb[j] = $1; atnamb[j] = $2; atnamc[j] = $3 ; atnamd[j] = $4
}
 nrb=j
}
END{

for (i = 1; i <= nra; i++){
  for (j = 1; j <= nrb; j++){ 
#if (atnamb[j] == "CA" || atnamb[j] == "CB" ){
#print atnamb[j]

if (atnamb[j] ~ "C" ){
wank[i] = "C"
fuck[i] = "0.25"
}
if (atnamb[j] ~ "H" && atnamb[j] !~ "N"){
wank[i] = "H"
fuck[i] = "0.03"
}
if (atnamb[j] ~ "N" ){
wank[i] = "N"
fuck[i] = "0.15"
}
#  print resnuma[i] 
  	
  
    if (resnuma[i] == resnumb[j]){
printf("%-3s%5s  %-6s%3s    %-5.2f  %5s%5s\n", resnumb[j],mike[i],atnamb[j],wank[i],atnamc[j],fuck[i],atnamd[j]) 
}
}


}


}

' $1 $2  |\
nawk '{print NR,  $0}'