- 10 write (iout,'(a,i5)') ' Nres: ',ires
-C Calculate dummy residue coordinates inside the "chain" of a multichain
-C system
- nres=ires
- do i=2,nres-1
-c write (iout,*) i,itype(i),itype(i+1)
- if (itype(i).eq.ntyp1.and.iterter(i).eq.1) then
- if (itype(i+1).eq.ntyp1.and.iterter(i+1).eq.1 ) then
-C 16/01/2014 by Adasko: Adding to dummy atoms in the chain
-C first is connected prevous chain (itype(i+1).eq.ntyp1)=true
-C second dummy atom is conected to next chain itype(i+1).eq.ntyp1=false
- if (unres_pdb) then
-C 2/15/2013 by Adam: corrected insertion of the last dummy residue
- call refsys(i-3,i-2,i-1,e1,e2,e3,fail)
- if (fail) then
- e2(1)=0.0d0
- e2(2)=1.0d0
- e2(3)=0.0d0
- endif !fail
- do j=1,3
- c(j,i)=c(j,i-1)-1.9d0*e2(j)
- enddo
- else !unres_pdb
- do j=1,3
- dcj=(c(j,i-2)-c(j,i-3))/2.0
- if (dcj.eq.0) dcj=1.23591524223
- c(j,i)=c(j,i-1)+dcj
- c(j,nres+i)=c(j,i)
- enddo
- endif !unres_pdb
- else !itype(i+1).eq.ntyp1
- if (unres_pdb) then
-C 2/15/2013 by Adam: corrected insertion of the first dummy residue
- call refsys(i+1,i+2,i+3,e1,e2,e3,fail)
- if (fail) then
- e2(1)=0.0d0
- e2(2)=1.0d0
- e2(3)=0.0d0
- endif
- do j=1,3
- c(j,i)=c(j,i+1)-1.9d0*e2(j)
- enddo
- else !unres_pdb
- do j=1,3
- dcj=(c(j,i+3)-c(j,i+2))/2.0
- if (dcj.eq.0) dcj=1.23591524223
- c(j,i)=c(j,i+1)-dcj
- c(j,nres+i)=c(j,i)
- enddo
- endif !unres_pdb
- endif !itype(i+1).eq.ntyp1
- endif !itype.eq.ntyp1
- enddo