I am trying to convert XDS file into something that CCP4 would recognize while keeping reflections unmerged. Hard to believe but it's not working: the keyword MERGE=FALSE is not recognized and the default TRUE is being used no matter what I do: ***** XDSCONV ***** (VERSION March 1, 2015 BUILT=20150215) 29-Apr-2015 Author: Wolfgang Kabsch Copy licensed until 31-Mar-2016 to academic users for non-commercial applications No redistribution. ========== CONTROL CARDS ========== INPUT_FILE=temp.ahkl OUTPUT_FILE=temp.hkl CCP4 FRIEDEL'S_LAW=FALSE MERGE=FALSE ! <-- Note this input SPACE_GROUP_NUMBER= 4 UNIT_CELL_CONSTANTS= 51.44 34.83 128.38 90.000 92.713 90.000 FRIEDEL'S_LAW=FALSE MERGE=TRUE ! <-- Note the default used instead NUMBER OF REFLECTION RECORDS ON INPUT FILE 574453 NUMBER OF IGNORED REFLECTIONS (I< -3.0*SIGMA) 0 NUMBER OF REFLECTIONS ACCEPTED FROM INPUT FILE 129894 NUMBER OF UNIQUE REFLECTIONS ASSIGNED TO TEST SET 0 NUMBER OF UNIQUE TEST REFLECTIONS INHERITED 0 NUMBER OF UNIQUE TEST REFLECTIONS NEWLY GENERATED 0 NUMBER OF REFLECTION RECORDS ON OUTPUT FILE 69305 NUMBER OF RECORDS ASSIGNED TO WORKING SET 69305 NUMBER OF RECORDS ASSIGNED TO TEST SET 0 ************************************************************************************************* Am I doing something wrong??? Also, please excuse a newbie question but is there a way to run XDSCONV with an input file name other than XDSCONV.INP? Every time I try command XDSCONV XDSCONV_BLAh.INP all I get is "XDSCONV: command not found" Thank you!