Merge branch 'bartek' of mmka.chem.univ.gda.pl:unres into bartek

[unres.git] / examples / unres / CSA / GAB / CSA / global / restrained / jpred_prediction / jpred2samp.awk

diff --git a/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jpred2samp.awk b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jpred2samp.awk
new file mode 100644 (file)
index 0000000..09adeb7
--- /dev/null
+++ b/examples/unres/CSA/GAB/CSA/global/restrained/jpred_prediction/jpred2samp.awk
@@ -0,0 +1,17 @@
+{
+  ll = length($0)
+#  print ("ll=",ll)
+  for (ii=1;ii<=3;ii++) printf("%5d%8.3f%8.3f\n",ii,0.0,180.0)
+  for (i=1;i<=ll-3;i++) {
+     ss = substr($0,i,1)
+#     print ("i ",i," ss ",ss)
+     if (ss == "-" || ss == "C" ) {
+       printf("%5d%8.3f%8.3f\n",ii,0.0,180.0)
+     } else if (ss == "H") {
+       printf("%5d%8.3f%8.3f\n",ii,45.0,5.0)
+     } else if (ss == "E") {
+       printf("%5d%8.3f%8.3f\n",ii,180.0,20.0)
+     }
+     ii=ii+1
+  }
+}