[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
[ccp4bb]: Trouble with MTZUTILS
*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
Hello all,
I want to strip my mtz file down to JUST HKL I and SIGI, but keeping the
reflections unmerged for input into SOLVE.
If the intensity of any reflection is greater than 9999, it gets written
as **** eg. mtzdump on this files gives...
0 -1 31 **** 988 should be 15745.30 987.52
0 -1 35 1780 93 should be 1779.62 92.91
0 2 0 **** 1071 should be 18630.25 1071.28
Even if I use the SCALE card I still get the same thing. Com file is
mtzutils HKLIN peak_scala.mtz \
HKLOUT peak_scala_utils.mtz <<eof
ONEFILE
CELL 75.2683 76.8902 295.9316 90.0000 90.0000 90.0000
SYMMETRY P212121
INCLUDE I SIGI
SCALE ALL J 0.01
<<eof
a) What am I doing wrong?
b) What is mtzutils doing wrong?
c) Why are decimal places suppressed?
This is with version 4.1 of ccp4.
CAD would be ideal but merges the data!
Thanks in advance for you help,
Graeme
Dr. Graeme L. Card,
University of Auckland,
Laboratory of Structural Biology,
School of Biological Sciences,
Thomas Building Level 4,
3a, Symonds Street,
Auckland,
New Zealand
Email G.Card@auckland.ac.nz
Web http://www.netcolony.com/life/gcard <<<<<<--------Temporary
Tel + 00 64 (0)9 373 7599 ext 7237
Fax + 00 64 (0)9 373 7414
Time = GMT +11 hours (GMT - Geordie Mean Time)
Toon Supporter