Scroll to navigation

Atomes(1) General Commands Manual Atomes(1)

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.

Open atomes workspace file.
Open atomes project file(s).
Import XYZ atomic coordinates(s).
Import PDB atomic coordinates(s).
Import CIF atomic coordinate(s).
Show summary of options.
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>

September 2 2022