iatom=iatom+1
ica(i)=iatom
write (ipdb,10) iatom,restyp(iti),chainid(ichain),
- & ires,(c(j,i),j=1,3)
+ & ires,(c(j,i),j=1,3),1.0d0,tempfac(1,i)
if (iti.ne.10) then
iatom=iatom+1
write (ipdb,20) iatom,restyp(iti),chainid(ichain),
- & ires,(c(j,nres+i),j=1,3)
+ & ires,(c(j,nres+i),j=1,3),1.0d0,tempfac(2,i)
endif
endif
enddo
write (ipdb,30) ica(ihpb(i)-nres)+1,ica(jhpb(i)-nres)+1
enddo
write (ipdb,'(a6)') 'ENDMDL'
- 10 FORMAT ('ATOM',I7,' CA ',A3,1X,A1,I4,4X,3F8.3,f15.3)
- 20 FORMAT ('ATOM',I7,' CB ',A3,1X,A1,I4,4X,3F8.3,f15.3)
+ 10 FORMAT ('ATOM',I7,' CA ',A3,1X,A1,I4,4X,3F8.3,2f6.2)
+ 20 FORMAT ('ATOM',I7,' CB ',A3,1X,A1,I4,4X,3F8.3,2f6.2)
30 FORMAT ('CONECT',8I5)
return
end