table of contents
cif2xyz() | cif2xyz() |
NAME¶
cif2xyz - Read CIF files and print atom coordinates in XYZ format.SYNOPSIS¶
cif2xyz --options input.cifDESCRIPTION¶
Read CIF files and print atom coordinates in XYZ format.OPTIONS¶
--print-radii Append covalent radii to the atom coordinates.--no-print-radii, --dont-print-radii, --xyz-only Print only Cartesian XYZ coordinates for input atoms (default).
--add-xyz-header Add the total number of atoms on the first line of the output, followed by an empty line.
--do-not-add-xyz-header,
--dont-add-xyz-header,
--no-add-xyz-header Do not add the total number of atoms on the first line (default).
--use-perl-parser
--use-c-parser Specify parser to parse CIF files. C parser is default.
--help, --usage Output a short usage message (this message) and exit.
--version Output version information and exit.