Man page - cif_fillcell(1)
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apt-get install cod-tools
Manual
| 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.
--no-merge-special-positions,
--dont-merge-special-positions
Output unmerged special positions (default).
--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).
--output-cod-molecule-data-items
Print _cod_molecule_* data items describing the
transformations of atoms.
--no-output-cod-molecule-data-items,
--dont-output-cod-molecule-data-items
Do not print _cod_molecule_* data items (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