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 :
0.00202 0.00485 ( 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
