subroutine int MAP_IN int MAP_OUT real HIST_TEMP !The zero flat make map MAP_IN set -10000 -9900 0.0 ! The flipping - inverting the rest - the solomon way !set vari SOLV_CUT = 0.5 !set vari GAMMA = 1. - SOLV_CUT !set vari GAMMA = GAMMA / SOLV_CUT * -1.0 !make map MAP_IN set -10000 -9900 9999.0 !make map MAP_IN from MAP_OUT invert reshift rescale scale GAMMA fourier map MAP_IN reflect sele WORK_REFL end shell 10 r-values refl set ampl phase fwork = fcalc * 1 ! At this point you can call the MAIN atomic probability function if ( HIST_TEMP .gt. 2.0 ) <>utils/hist_match int MAP_IN real HIST_TEMP ! after you get new structure factors ! you can perform a phase combination procedure ! using sigmaa weighting scheme: ! adapt the main/doc/dens_mod/phase_comb (main_2_sigmaa_2_main.ccp4) script ! and calculate an fobs map ! write over file main_fcalc.phase refl polar select defined end ! spawn main_2_sigmaa_2_main.ccp4 > sigmma.out ! read file sigmaa.phase refl over resol RESOL_MIN RESOL_MAX friedel ! < ?MAIN_CMDS:calc_fo_map.cmds MAP_OUT ! or calculate some other kind of map < ?MAIN_CMDS:calc_fo_phase_fc.cmds MAP_OUT ! < ?MAIN_CMDS:calc_fofc_diff_map.cmds MAP_OUT 2 1 return