X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-NEWSC%2Frescode.f;fp=source%2Fcluster%2Fwham%2Fsrc-NEWSC%2Frescode.f;h=ca0305cd3a73a855b594f9b7c62b7dd5fa9bd275;hb=c89d7d207940ebb57e0042cb35ab65d0f8a4b55e;hp=0000000000000000000000000000000000000000;hpb=5029bcbf14f3cbd61762ac3616d2d4105bfd0593;p=unres.git

diff --git a/source/cluster/wham/src-NEWSC/rescode.f b/source/cluster/wham/src-NEWSC/rescode.f
new file mode 100644
index 0000000..ca0305c
--- /dev/null
+++ b/source/cluster/wham/src-NEWSC/rescode.f
@@ -0,0 +1,31 @@
+      integer function rescode(iseq,nam,itype)
+      include 'DIMENSIONS'
+      include 'COMMON.NAMES'
+      include 'COMMON.IOUNITS'
+      character*3 nam,ucase
+
+      if (itype.eq.0) then
+
+      do i=1,ntyp1
+        if (ucase(nam).eq.restyp(i)) then
+          rescode=i
+          return
+        endif
+      enddo
+
+      else
+
+      do i=1,ntyp1
+        if (nam(1:1).eq.onelet(i)) then
+          rescode=i
+          return  
+        endif  
+      enddo
+
+      endif
+
+      write (iout,10) iseq,nam
+      stop
+   10 format ('**** Error - residue',i4,' has an unresolved name ',a3)
+      end
+