atomes1
A toolbox to analyze, visualize and create/edit 3d atomistic models
Usage
atomes [options]
files ...
Overview
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.