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 <[email protected]>