#!/usr/bin/awk -f
######################################################################################
# convert | into and or for xplor
######################################################################################

BEGIN { 
a=b=0
}

FILENAME==ARGV[1] {
a++
resnumber1[a]=$3
resnumber2[a]=$9
atom2[a]=$12
dis1[a]=$14
dis2[a]=$15
dis3[a]=$16
atom1[a]=$6
char1[a]=substr($6,4,1)
char2[a]=substr($6,5,1)
char3[a]=substr($12,4,1)
char4[a]=substr($12,5,1)
}
END {
for (i=1; i<=a; i++) {
      if ((char1[i]=="|" || char2[i]=="|") && (char3[i]!="|" && char4[i]!="|")) {
          z=split(atom1[i],splitatom,"|")
          printf"assign (resid %3d and (name %s or name %s  )) (resid %3d and name %s  )  %2.1f  %2.1f  %2.1f\n", resnumber1[i],  splitatom[1], splitatom[2], resnumber2[i], atom2[i], dis1[i], dis2[i], dis3[i]
                                          } 
      if ((char3[i]=="|" || char4[i]=="|") && (char1[i]!="|" && char2[i]!="|")) {
          z=split(atom2[i],splitatom2,"|")
          printf"assign (resid %3d and name %s  ) (resid %3d and (name %s or name %s  )) %2.1f  %2.1f  %2.1f\n", resnumber1[i], atom1[i], resnumber2[i], splitatom2[1], splitatom2[2], dis1[i], dis2[i], dis3[i]
                                          }
      if ((char3[i]=="|" || char4[i]=="|") && (char1[i]=="|" || char2[i]=="|")) {
          z=split(atom2[i],splitatom2,"|")
          y=split(atom1[i],splitatom,"|")
          printf"assign (resid %3d and (name %s or name %s  )) (resid %3d and (name %s or name %s  )) %2.1f  %2.1f  %2.1f\n", resnumber1[i], splitatom[1], splitatom[2], resnumber2[i], splitatom2[1], splitatom2[2], dis1[i], dis2[i], dis3[i]
                                                                           }
      if (char1[i]!="|" && char2[i]!="|" && char3[i]!="|" && char4[i]!="|") { 
          printf"assign (resid %3d and name %s  ) (resid %3d and name %s  )  %2.1f  %2.1f  %2.1f\n", resnumber1[i], atom1[i], resnumber2[i], atom2[i], dis1[i], dis2[i], dis3[i]
                                          } 
                     }
     }