Dear Petr
In your $CCP4/src/dev_tools_ directory there is a small utility named
readmtz.cpp which I created for use in a situation like this. You will
need to compile it by typing
g++ -o readmtz readmtz.cpp
Then type
./readmtz <filename>.mtz
The data will be written out as an ascii file called output.txt. You can
read this back in using the CCP4 program F2MTZ, which allows you to
supply the spacegroup.
Norman
Norman Stein
CCP4
Daresbury Laboratory
-----Original Message-----
From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of
Petr Kolenko
Sent: 08 July 2008 09:54
To: [log in to unmask]
Subject: [ccp4bb] Missing space group in ?.mtz file
Dear colleagues,
I have a ?.mtz file from integration with missing info about the space
group in the SYMINFO. I tried to modify the file with combat and
mtzutils, but it always ends up in reading the original file with this
message:
Failed to find spacegroup in SYMINFO!
MTZUTILS: Fatal error in ccp4spg_register_by_symops
MTZUTILS: Fatal error in ccp4spg_register_by_symops
Here is report from mtzdump:
Failed to find spacegroup in SYMINFO!
MTZDUMP: Fatal error in ccp4spg_register_by_symops
I know the correct space group, but I do not know how to supply the .mtz
file. Any suggestion, please? Thanks for all of them.
Best Regards,
Petr
Petr Kolenko
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