table of contents
| cif_fillcell() | cif_fillcell() |
NAME¶
cif_fillcell - Generates symmetric atoms from a CIF file.SYNOPSIS¶
cif_fillcell --options input.cif inputs*.cifDESCRIPTION¶
Generates 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.