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[ccp4bb]: Amore
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Hi. I have been unable to correctly sort my data in amore. It's space
group is F4132 and has cell dimensions of 281.34 281.34 281.34 90 90 90
to 3A.
When I run a simple sorting script, I get the following error:
AMORE: Symmetry limit(2*NSYMP+1) must be =< NM - reset
HKLM
When I then try the script with HKLM values of 188 188 49, I get a
different error:
AMORE: > s/r pac4 < maximal indices exceeded
I'm not sure what to do. I'd really like to get amore to work because
other mol. replacement programs (CNS and molrep) are taking a month and
counting to run on some fairly fast computers. Here's my amore sorting
script:
setenv SORTING_NR 10000000
set scrdir=scratch
set root = f4132_run1
amore hklin data.mtz \
hklpck0 ${root}.hkl \
<< eof > ${scrdir}/${root}_sorthkl.log
TITLE Sorted f4132 dataset
# HKLM 188 188 188 49 Used for large files
SORTFUN RESOL 12. 5.0
LABIN FP=F SIGFP=SIGF
eof
Any suggestions would be appreciated.
Chris Reyes