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!