[ccp4bb] Pointless problems
Dear All, I am having problems when trying to run Pointless with input from Denzo/Scalepack. (1) Pointless refuses to work from the .sca file. The error message is: CCP4 library signal mtz:File not identified as MTZ (Error) CCP4MTZfile: open_read - File missing or corrupted: rn7e222test.sca or The program run with command: /programs/CCP4/ccp4-6.1.1/bin/pointless has failed with error message child process exited abnormally (when run from ccp4i) (2) Scalepack2mtz refuses to convert a Scalepack file produced using the command: NO MERGE original index (i.e. as instructed by the Pointless instructions). It fails with the rather tactless message: * Resolution Range : 0.002020.00485 ( 22.256 - 14.357 A ) * Sort Order : 0 0 0 0 0 * Space group = 'P 2 2 2' (number 16) SCALEPACK2MTZ: Check your data! And, no my resolution range is not 22.2-14.3 A!! (3) Pointless refuses to work with an .mtz file produced by Scalepack2mtz from a .sca file obtained with the simple NO MERGE instruction (remember the NO MERGE original index instruction is a no-go for Scalepack2mtz). The error message in this case is quite simply: HKLIN is merged and no HKLREF file is defined, SPACEGROUP or REINDEX. I know the orthodox ccp4 reply would be stop whining and use Mosflm!, but is there an alternative if I really want to use Denzo/Scalepack? If not, is there another way to check my point group/spacegroup starting from Denzo/Scalepack? Thanks a lot! Emmanuel
Re: [ccp4bb] Pointless problems
On Wed, 2011-09-14 at 14:06 -0400, Emmanuel Saridakis wrote: If not, is there another way to check my point group/spacegroup starting from Denzo/Scalepack? If you are trying to choose the screw axes, you can always look at the systematic absences. This script may be useful in extracting the (h00), (0k0),(00l) and such (assuming you used P222 and thus scalepack kept everything): http://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php/Get_systematic_absences_from_.sca_file Cheers, Ed. -- Hurry up before we all come back to our senses! Julian, King of Lemurs
