Man page - atomes(1)

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Manual

Atomes

NAME
SYNOPSIS
DESCRIPTION
OPTIONS
SEE ALSO
AUTHOR

NAME

atomes - a toolbox to analyze, visualize and create/edit 3D atomistic models

SYNOPSIS

atomes [ options ] files ...

DESCRIPTION

This manual page documents briefly the atomes command.

atomes is a toolbox to analyze, visualize and edit/create 3D atomistic models.

It offers a workspace to open and manage project(s) that can exchange data: analysis results, atomic coordinates ...

atomes also provides an advanced input preparation system for calculations using well know molecular dynamics codes:

Classical MD: DLPOLY and LAMMPS
Ab-initio MD: CPMD and CP2K
QM-MM MD: CPMD and CP2K

OPTIONS

This program follows the usual GNU command line syntax, with long options starting with two dashes (‘-’). A summary of options is included below. For a complete description, see the Info files.
-awf, -AWF

Open atomes workspace file.

-apf, -APF

Open atomes project file(s).

-xyz, -XYZ

Import XYZ atomic coordinates(s).

-pdb, -PDB

Import PDB atomic coordinates(s).

-cif, -CIF

Import CIF atomic coordinate(s).

-h, --help

Show summary of options.

-v, --version

Show version of program.

SEE ALSO

https://atomes.ipcms.fr/

AUTHOR

This manual page was created by Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>