---
name: "codxyz2fract"
section: "1"
platform: "linux"
package: "cod-tools"
version: "3.11.0+dfsg-1"
release: "Debian 13 (Trixie)"
platforms: ["linux"]
url: "https://new.carta.tech/codxyz2fract"
---

# codxyz2fract(1)

take an XYZ format \[1\] molecular file and convert orthogonal coordinates to fractional ones. Unit cell constants can be given as command line option parameters. \[1\] https://en.wikipedia.org/wiki/XYZ\_file\_format

## NAME

codxyz2fract - take an XYZ format \[1\] molecular file and convert orthogonal coordinates to fractional ones. Unit cell constants can be given as command line option parameters. \[1\] https://en.wikipedia.org/wiki/XYZ\_file\_format

## SYNOPSIS

codxyz2fract --options inputs\*.xyz

codxyz2fract --options \< inp.xyz

## DESCRIPTION

Take an XYZ format \[1\] molecular file and convert orthogonal coordinates to fractional ones. Unit cell constants can be given as command line option parameters.

\[1\] https://en.wikipedia.org/wiki/XYZ\_file\_format

## OPTIONS

\-c, --cell "10 10 10 90 90 90"\
                   Specify unit cell for conversion.

\-l, --lattice "0.1 0 0  0 0.2 0  0 0 0.15"\
                   Specify unit cell vectors in ortho frame for conversion.

\-f, --float-format "%21.14e"\
                   Specify format for floating point output.\
                   For Perl, a usual "printf" format can be given.

\-H, --human-readable\
                   Use format "%12.6f" for better human readability.

\-M, --machine-readable\
                   Use format "%21.14e" to maintain precision. Default.

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

\--version\
                   Output version information and exit.

## REPORTING BUGS

Report codxyz2fract bugs using e-mail: cod-bugs@ibt.lt