# Copyright (c) 2002-08 Peter Guntert. All rights reserved.
## 7MACROS: longrangeplot - CYANA macro
##
## Parameters: file=<filename>.ps             (default: longrangeplot.ps)
##
## Plots long-range distance restraints (five or more residues apart) versus
## (two copies of) the sequence. Lines going from upper left to lower right
## represent restraints between side-chain atoms, those going from lower left
## to upper right represent restraints that involve backbone atoms.

var info echo ts i j m mm aa scrmax i1 i2

syntax $macro:file=@f.ps=longrangeplot.ps


subroutine rescode string var
var olc tlc i
olc:='LGAVIPSTEDQNKRHFYWMC'
tlc:='LEU GLY ALA VAL ILE PRO SER THR GLU ASP GLN ASN LYS ARG HIS PHE TYR TRP MET CYS'
string:='$string'
if (lenstr(string).eq.1) then
  i=4*(index(olc,string)-1)+1
  if (i.ge.1) then
    $var:=$tlc(i:i+2)
  else
    $var:=?
  end if
else
  i=(index(tlc,string(1:3))+3)/4
  if (i.ge.1) then
    $var:=$olc(i:i)
  else
    $var:=?
  end if
end if
end


info:=none; echo:=off

if (nr.le.0) error "No structure present."
plot ps $file

ts=2.7*600.0/nr; dx=ts*0.0025
plot textsize=ts font=Courier
plot linewidth=0.4
plot x0=-150 x1=150 y0=-300 y1=300
plot X0=0 X1=1 Y0=0 Y1=nr-1

do i 1 nr
  rescode $rnam(i) aa
  plot align=right,middle
  plot text 0-dx*(mod(i+1,2)+0.4) nr-i $aa
  plot align=left,middle
  plot text 1+dx*(mod(i+1,2)+0.4) nr-i $aa
  if (mod(i,10).eq.0) then
    plot font=Times textsize=0.75*ts
    plot text 1+dx*2.7 nr-i $rnum(i)
    plot align=right,middle
    plot text 0-dx*2.7 nr-i $rnum(i)
    plot font=Courier textsize=ts
  end if
end do
mm=0
if (ndco.eq.0) then
  do i 1 npeaks
    if (inpk(i).ge.1.and.ipa(1,i)*ipa(2,i).ne.0) then
      m=0
      do j i i+inpk(i)-1
        i1=iar(ipa(1,j))
        i2=iar(ipa(2,j))
        if (abs(i1-i2).le.4) m=m+1
      end do
      if (m.eq.0) then
        mm=mm+1
        do j i i+inpk(i)-1
          i1=iar(ipa(1,j))
          i2=iar(ipa(2,j))
          plot color=black
          if (max(lda(iaunit(ipa(1,j))),lda(iaunit(ipa(2,j)))).gt.na) then
            plot line 0 nr-max(i1,i2) 1 nr-min(i1,i2)
          else
            plot line 0 nr-min(i1,i2) 1 nr-max(i1,i2)
          end if
        end do
      end if
    end if
  end do
else
  do i 1 ndco
    if (indco(i).ge.1) then
      m=0
      do j i i+indco(i)-1
        i1=iar(idcoa(1,j))
        i2=iar(idcoa(2,j))
        if (abs(i1-i2).le.3) m=m+1
      end do
      if (m.eq.0) then
        mm=mm+1
        do j i i+indco(i)-1
          if (j.eq.i) then
            plot color=blue
          else
            plot color=green
          end if
          i1=iar(idcoa(1,j))
          i2=iar(idcoa(2,j))
          if (max(lda(iaunit(idcoa(1,j))),lda(iaunit(idcoa(2,j)))).gt.na) then
            plot line 0 nr-max(i1,i2) 1 nr-min(i1,i2)
          else
            plot line 0 nr-min(i1,i2) 1 nr-max(i1,i2)
          end if
        end do
      end if
    end if
  end do
end if

plot close
print "    Plot file \"$file\" written, $mm long range restraints. "