program chiralindex parameter (nat0=4000) dimension r(nat0,3),w(nat0) open(4,file='FILE.X') read(4,*) read(4,*)nat if(nat.gt.nat0)then write(6,*)'too many atoms' stop endif do 1 i=1,nat 1 read(4,*)idum,(r(i,ix),ix=1,3) close(4) write(6,600)nat 600 format(i5,' atoms, which is central? ',$) read(5,*)ic open(40,file='WEIGHT.LST') write(40,*)nat xc=r(ic,1) yc=r(ic,2) zc=r(ic,3) do 2 i=1,nat d=sqrt((xc-r(i,1))**2+(yc-r(i,2))**2+(zc-r(i,3))**2) 2 w(i)=1.0/(1.+d) write(40,400)(w(i),i=1,nat) 400 format(f10.6,' ',$) close(40) stop end