c program to read hybrid.out and sitesinpr.pdb to make the pH vs.
c charge predictions by the hybrid program more readable. The
c results are put in a file called: hybrid.chart     10/10/96 JMB
      program hyb2chart
      character skip*1,grpnam(128)*14
      integer i, j, iph, igrp
      real jph(21),ichg(21,128)
      open(unit=10,file='hybrid.out',status='old',
     x form='formatted')
      open(unit=11,file='hybrid.chart',status='unknown',
     x form='formatted')
      open(unit=12,file='sitesinpr.pdb',status='old',
     x form='formatted')
c read necessary info from hybrid.out
      read(10,*) iph
      read(10,'(a1)') skip
      do i = 1, iph
         read(10,'(a1)') skip
      enddo
      read(10,*) igrp
      read(10,'(a1)') skip
      do i = 1, igrp
         read(10,'(a1)') skip
      enddo
      do i = 1, iph
         read(10,*) jph(i)
         do j = 1, igrp
            read(10,*) ichg(i,j)
         enddo
      enddo
c read sitesinpr.pdb file for titratable site names
      read(12,'(a1)') skip
      do i = 1, igrp
         read(12,300) grpnam(i)
      enddo
c now write it out in chart format
      write(11,*) 'Predicted residue charge state for various pH values'
      write(11,*) ' '
      write(11,100) (jph(i),i=1,9)
      do j = 1, 128
         write(11,200) grpnam(j),(ichg(i,j),i=1,9)
      enddo
      write(11,*) ' '
      write(11,100) (jph(i),i=10,18)
      do j = 1, 128
         write(11,200) grpnam(j),(ichg(i,j),i=10,18)
      enddo
      write(11,*) ' '
      write(11,100) (jph(i),i=19,21)
      do j = 1, 128
         write(11,200) grpnam(j),(ichg(i,j),i=19,21)
      enddo
  100 format(15x,9(1x,f6.2))
  200 format(a14,1x,9(1x,f6.2))
  300 format(12x,a14)
      stop
      end