source/wham/src-HCD-5D/testseqchains.f

   1       implicit none
   2       include 'DIMENSIONS'
   3       include 'COMMON.CHAIN'
   4       include 'COMMON.INTERACT'
   5       include 'COMMON.IOUNITS'
   6       integer i,ii,iii,ires
   7       integer tperm,iperm
   8       iout=6
   9       read (*,*) nres,(itype(i),i=1,nres)
  10       call seq2chains(nres,itype,nchain,chain_length,chain_border,
  11      &  ireschain)
  12       print *,"nres",nres," nchain",nchain
  13       do i=1,nchain
  14         print *,"chain",i,chain_length(i),chain_border(1,i),
  15      &    chain_border(2,i)
  16       enddo
  17       print *,"ireschain"
  18       do i=1,nres
  19         print *,i,ireschain(i)
  20       enddo
  21       call chain_symmetry(nchain,nres,itype,chain_border,
  22      &    chain_length,npermchain,tabpermchain)
  23       print *,"ireschain permutations"
  24       do i=1,nres
  25         print '(60i4)',i,(tperm(ireschain(i),ii,tabpermchain),
  26      &   ii=1,npermchain)
  27       enddo
  28       print *,"residue permutations"
  29       do i=1,nres
  30         print '(60i4)',i,(iperm(i,ii),ii=1,npermchain)
  31       enddo
  32       stop
  33       end