dear fellow ccp4ers, while trying to run a translation function in amore, with a certain crystal form we get the above error.
in a little more detail, what we get is this ...
centred-overlap
stop >> traft << no reflection selected
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
AMORE: Fatal error in s/r TRAFT
the required input files are there and do not have zero length.
i am not sure, though, about their contents, since the amore .hkl and
.tab files all seem binary.
could anybody point me into where to search further ?
command file attached ... error occurs in trafun
greetings
ingo
amore \
HKLIN xog1-IL07-001.mtz \
HKLPCK0 test.hkl << eof
sortfun resolution 15.0 3.0
labin FP=F_xog1-IL07-001 SIGFP=SIGF_xog1-IL07-001
eof
amore \
XYZIN1 /mnt/data/reference_structures/xog1-i422-2crk.v2.pdb\
TABLE1 test.tab \
XYZOUT1 test.pdb << eof
verbose
tabfun -
norotate -
notranslate
model 1
sample 1 resolution 3.0
crystal 198.770 198.770 70.760 90.00 90.00 90.00 orth 1
eof
amore \
HKLPCK0 test.hkl \
MAPOUT test.map \
TABLE1 test.tab << eof
trafun CB NMOL 1 -
resolution 15.0 3.0 -
npic 20 -
pklim 0.5
crystal orth 1
SOLUTION 1 0.00 0.00 0.00 0.0000 0.0000 0.0000 99.9 99.9 99.9 99.9
eof
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