& sideadd,lsecondary,read_cart,unres_pdb,
& vdisulf,searchsc,lmuca,dccart,extconf,out1file,
& gnorm_check,gradout,split_ene,read2sigma,
- & start_from_model,read_homol_frag
+ & start_from_model,read_homol_frag,dist1cut
common /cntrl/ modecalc,iscode,indpdb,indback,indphi,iranconf,
& icheckgrad,minim,i2ndstr,refstr,pdbref,outpdb,outmol2,iprint,
& overlapsc,energy_dec,sideadd,lsecondary,read_cart,unres_pdb
& constr_dist,gnorm_check,gradout,split_ene,symetr,AFMlog,
& selfguide,
& constr_homology,homol_nset,read2sigma,start_from_model,
- & read_homol_frag
+ & read_homol_frag,dist1cut
common /homol/ waga_homology(maxprocs/20),
& waga_dist, waga_angle, waga_theta, waga_d, dist_cut,dist2_cut
common /saxsretr/Psaxs,distsaxs,csaxs,Wsaxs0,scal_rad,saxs_cutoff,
call reada(controlcard,"HOMOL_SCD",waga_d,1.0d0) ! new
call reada(controlcard,'DIST_CUT',dist_cut,5.0d0) ! for diff ways of calc sigma
call reada(controlcard,'DIST2_CUT',dist2_cut,9999.0d0)
+ dist1cut=(index(controlcard,'DIST1CUT').gt.0)
call readi(controlcard,"HOMOL_NSET",homol_nset,1)
read2sigma=(index(controlcard,'READ2SIGMA').gt.0)
start_from_model=(index(controlcard,'START_FROM_MODELS').gt.0)
distal=dsqrt(x12*x12+y12*y12+z12*z12)
c write (iout,*) k,i,j,distal,dist2_cut
+ if (dist1cut .and. k.gt.1) then
+ ii=ii+1
+ if (l_homo(1,ii)) then
+ ii_in_use(ii)=1
+ l_homo(k,ii)=.true.
+ ires_homo(ii)=i
+ jres_homo(ii)=j
+ odl(k,ii)=distal
+ sigma_odl(k,ii)=sigma_odl(1,ii)
+ else
+ l_homo(k,ii)=.false.
+ endif
+ else
if (idomain(k,i).eq.idomain(k,j).and.idomain(k,i).ne.0
& .and. distal.le.dist2_cut ) then
ii=ii+1
l_homo(k,ii)=.false.
endif
+ endif
enddo
enddo
lim_odl=ii