::!\bin\sh :: Standard program for reading ASCII files to MTZ. :: Number of columns is derived from LABOUT line. :: Remember all input data must be separated by space unless you :: specify a FORMAT (as below). :: :: You will need to run cad too - your data will need to be sorted and :: may not be in the conventional CCP4 asymmetric unit. :: IF NOT EXIST %TEMPRES%\toxd.hkl (echo "! run mtz2various.exam first" 1>&2 && GOTO :EOF) :: this was changed from Xplor format - hope its ok :: Convert CNS formatted file from mtz2various back to mtz. f2mtz HKLIN %TEMPRES%\toxd.hkl HKLOUT %TEMPRES%\junk_hkl < %SCRIPTWIN%\f2mtz1.dat :: Convert file from mtz2various with OUTPUT USER. f2mtz HKLIN %TEMPRES%\toxd.user HKLOUT %TEMPRES%\junk_user < %SCRIPTWIN%\f2mtz2.dat :: We now need to correct the dataset information, since we have :: read in two datasets simultaneously - it would have been better :: to convert them separately! cad HKLIN1 %TEMPRES%\junk_user HKLOUT %TEMPRES%\junk_user_1 < %SCRIPTWIN%\f2mtz3.dat