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CIF_FILLCELL(1) General Commands Manual CIF_FILLCELL(1)

NAME

cif_fillcell - generate symmetric atoms from a CIF file.

SYNOPSIS

cif_fillcell --options input.cif inputs*.cif

DESCRIPTION

Generate symmetric atoms from a CIF file.

OPTIONS

--merge-special-positions
Merge atoms that are located in special positions.

--supercell
Build the 3x3x3 supercell by shifting atoms of the
unit cell in all 3D directions.

--unit-cell, --no-supercell
Only build the unit cell (default).

--use-c-parser
Use the faster C parser for CIFs (default).

--use-perl-parser
Use the Perl parser for parsing CIFs.

--help, --usage
Output a short usage message (this message) and exit.

--version
Output version information and exit.

REPORTING BUGS

Report cif_fillcell bugs using e-mail: cod-bugs@ibt.lt