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cif2mtz-help.txt
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$ gemmi cif2mtz -h
Usage:
gemmi cif2mtz [options] CIF_FILE MTZ_FILE
gemmi cif2mtz [options] CIF_FILE --dir=DIRECTORY
Options:
-h, --help Print usage and exit.
-V, --version Print version and exit.
-v, --verbose Verbose output.
-b NAME, --block=NAME mmCIF block to convert, by name.
-B INDEX mmCIF block to convert, by index (default: 1).
--add CIF_FILE Use additional input mmCIF file, first block.
-l, --list Dry run and list blocks in mmCIF file.
-d DIR, --dir=NAME Output directory.
--spec=FILE Conversion spec.
--print-spec Print default spec and exit.
--title MTZ title.
-H LINE, --history=LINE Add a history line.
--wavelength=LAMBDA Set wavelength (default: from input file).
-u, --unmerged Write unmerged MTZ file(s).
--refln-to=MODE Read refln category as: normal, friedel (converts Fs
to F+/F-), unmerged or auto (default).
--sort Order reflections according to Miller indices.
--asu=ccp4|tnt Move merged reflections into CCP4 or TNT ASU.
--skip-negative-sigma Skip reflections with sigma<0 (in any MTZ Q column).
--zero-to-mnf If value and sigma are 0, set both to MNF.
--local Take file from local copy of the PDB archive in
$PDB_DIR/structures/divided/structure_factors/
First variant: converts the first block of CIF_FILE, or the block
specified with --block=NAME, to MTZ file with given name.
Second variant: converts each block of CIF_FILE to one MTZ file
(block-name.mtz) in the specified DIRECTORY.
If CIF_FILE is -, the input is read from stdin.
To convert data from multiple CIF files into one MTZ file use:
gemmi cif2mtz [options] CIF1 --add CIF2 --add CIF3 MTZ_FILE
It's for special cases, e.g. when map coefficients are in separate files.