Dear Nathan, the xds documentation explains: "At present, MERGE=TRUE is enforced by XDSCONV for all output file formats other than CNS and SHELX."
so this is not a bug but known. Pointless is probably the route to take, as Graeme suggested. Regards, Tim On Wed, Apr 29, 2015 at 12:47:05AM -0500, Nathan Pollock wrote: > 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! -- -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen phone: +49 (0)551 39 22149 GPG Key ID = A46BEE1A
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