subroutine char SEGMENTS int THE_MAP set weight sele segm name SEGMENTS .a atom name H* end = 0.0 set temp sele segm name SEGMENTS .a temp -1. 2.0 end = 30.0 if ( BULK_SOLVE .eq. "ON" ) then make map THE_MAP conv real make map THE_MAP zero make map THE_MAP set -1 1 -9999. set vari MAP_MASK = nmaps + 1 set rad sele segm name SEGMENTS end vdw scale 1.0 rad sele segm name SEGMENTS end make map MAP_MASK from THE_MAP init -9999 \ around 10 sele segm name SEGMENTS end real make map MAP_MASK atom ( radii mask ) select segm name SEGMENTS end make map MAP_MASK + 1 from MAP_MASK init 9999 copy make map MAP_MASK from MAP_MASK + 1 fill 10 make map MAP_MASK set 9000 99999 1.0 make map THE_MAP from MAP_MASK cell make map THE_MAP set -99990. -9990 0.0 dele map MAP_MASK fourier map THE_MAP refl bulk off refl sele defined end set ampl phase fpart = fcalc * 1.0 refl bulk on end_if make map THE_MAP conv real make map THE_MAP zero make map THE_MAP set -1 1 -9999. make map THE_MAP atom symm - atom dens - sele segm name SEGMENTS end make map THE_MAP set -100000 -100 0.0 fourier map THE_MAP if ( ANISO_CORR .eq. "ON" ) then reflection sele WORK_REFL end r-values aniso end_if if ( BULK_SOLVE .eq. "ON" ) then reflection sele WORK_REFL end r-values bulk end_if if ( BULK_SOLVE .ne. "ON" .and. ANISO_CORR .ne. "ON" ) then reflection sele WORK_REFL end r-values end_if set vari IRESULT_0 global = -1 refl show key TEST show vari IRESULT_0 if ( IRESULT_0 .gt. 0 ) then reflection sele TEST end r-values fix end_if return