subroutine char SEGMENTS char GROUP ! set dial 1 init delete atom sele segm name #* end image erase key image sele .not all end set col sele segm name SEGMENTS end = 1 sele segm name SEGMENTS end anal aver color 64 160 6 range auto !sele segm name SEGMENTS .a by resi weigh 0.1 1.1 end \ ! anal aver color 64 160 6 exit set vari RMIN real = RESULT_0 set vari RMAX real = RESULT_1 set vari R1 real = RMAX - RMIN set vari R1 real = R1 / 32.0 ! show vari GROUP if ( GROUP .eq. "RESIDUE" ) then ima sele segm name SEGMENTS .a atom name N CA C end set bond ima sele segm name SEGMENTS .a atom name P O3' C3' C4' C5' O5' end set bond ima sele segm name SEGMENTS .a atom name O* .a resi name H2O end set atom cros set vari IRES inte resi sele anal aver RMAX - R1 RMAX end image cent calc sele resi numb IRES end else ima sele segm name SEGMENTS end set bond ima sele segm name SEGMENTS .a .not atom name H* .a \ .not by bond all end set atom cross set vari IATOM inte atom sele anal aver RMAX - R1 RMAX end show vari IATOM image cent atom IATOM end_if ! image cent calc sele segm name SEGMENTS .a col 160 end return