RE: [ccp4bb]: Problems converting XDS_ASCII.HKL to mtz using COMBAT

[Winter, G \(Graeme\)]

Hi Ronny,   I don't know what your problem is, nor what the fix is, but I usually find that the script   #!/bin/bash /opt/px/ccp4/ccp4-5.99.4/bin/combat HKLIN XDS_ASCII.HKL HKLOUT XDS_ASCII.HKL.mtz << eof scale 1.0 input XDSASCII pname project xname blah dname xds eof does the job. However, this produces a reflection file suitable for input in to scala, not a merged reflection file. I also find that changing scale to maybe 0.02 prevents sortmtz from exploding due to numbers being too negative... Cheers,   Graeme   [Winter, G (Graeme)]   -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED]On Behalf Of Ronny Helland Sent: 15 February 2006 09:47 To: ccp4bb@dl.ac.uk Subject: [ccp4bb]: Problems converting XDS_ASCII.HKL to mtz using COMBAT Hi all.   We would like to convert data processed in XDS to mtz format using COMBAT (XDS_ASCII.HKL from correct). We could do this using earlier versions of XDS but not the latest version. Apparently there is an extra column in newer versions of the XDS_ASCII.HKL file. We have this problem for both CCP4-5.0.2 and CCP4-6.0. We can, however, convert the files using the windows version of CCP4-6.0, but we would like to do this on our Linux machines as well. Has anyone seen this before and know what the fix is.   Thanks Ronny