1. New organization of examples for 4P,GAB,E0LL2Y force field,
[unres.git] / examples / unres / CSA / GAB / CSA / global / restrained / jpred_prediction / jpred2samp.awk
1 {
2   ll = length($0)
3 #  print ("ll=",ll)
4   for (ii=1;ii<=3;ii++) printf("%5d%8.3f%8.3f\n",ii,0.0,180.0)
5   for (i=1;i<=ll-3;i++) {
6      ss = substr($0,i,1)
7 #     print ("i ",i," ss ",ss)
8      if (ss == "-" || ss == "C" ) {
9        printf("%5d%8.3f%8.3f\n",ii,0.0,180.0)
10      } else if (ss == "H") {
11        printf("%5d%8.3f%8.3f\n",ii,45.0,5.0)
12      } else if (ss == "E") {
13        printf("%5d%8.3f%8.3f\n",ii,180.0,20.0)
14      }
15      ii=ii+1
16   }
17 }