SKIP 5 # Miss out 5 lines of header TITLE CNS to MTZ NAME PROJECT TOXD CRYSTAL DERIV_AU DATASET DERIV_AU CELL 73.58 38.73 23.19 # angles default to 90 LABOUT H K L FAU20 PHIB SIGFAU20 FreeRflag CTYPE H H H F P Q X # X is special free R type # remove the leading "1x" in the format iff your fortran system obeys # carriage-control (thus there isn't a leading space in the mtz2various # output). (This may not be canonical X-PLOR format -- your mileage may # vary with the input FORMAT and column specifications.) FORMAT '(1X,5X,3F5.0,6X,F10.1,F10.1,7X,F10.2,6X,F6.0)' # An example input line starts immediately after the #: # INDE 0 6 2 FOBS= 4661.0 0.0 SIGMA= 94.00 TEST= 11 SYMM 19