| cif_fillcell() | cif_fillcell() |
cif_fillcell - Generates symmetric atoms from a CIF file.
cif_fillcell --options input.cif inputs*.cif
Generates symmetric atoms from a CIF file.
--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.
Report cif_fillcell bugs using e-mail: cod-bugs@ibt.lt