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[ccp4bb]: re mlphare problem
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re mlphare problem
in $CLIBD/cif_mm.dic is defined
save__phasing_MIR.reflns_criterion
_item_description.description
; Criterion used to limit the reflections used in the phasing
calculations.
;
_item.name '_phasing_MIR.reflns_criterion'
_item.category_id phasing_MIR
_item_aliases.alias_name '_phasing_MIR.ebi_reflns_criteria'
_item_aliases.dictionary ebi_extensions
_item_aliases.version 1.0
_item.mandatory_code no
_item_type.code text
_item_examples.case '> 4 \s(I)'
save_
#-------------------------------------
unfortunately the harvlib.f in $CLIBS has
+ CALL ccif_put_char('_phasing_MIR.reflns_criteria',
used in mlphare at
CALL Hphasing_mir_native(R1,R2,CutOffNatSigma,
in $CLIBD are the files
cif_mm.dic this is the mmCIF plus the harvest mmCIF ascii file
cif_mmdic.lib the binary fast access cif dictionary actually used
this is made at install time with cifdic_to_symtab
the easiest quick fix is to edit in the $CLIBS directory
harvlib.f and change
+ CALL ccif_put_char('_phasing_MIR.reflns_criteria',
to
+ CALL ccif_put_char('_phasing_MIR.reflns_criterion',
then do make in the ccp4/lib/src/ directory
then in $CPROG
touch mlphare.f
make install
although criteria is obviously a better name, at present the dictionary has
criterion - ccp4 may decide to change the name
kim henrick