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

Author

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

                                                September  2 2022                                      Atomes(1)

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:

              ClassicalMD:DLPOLY and LAMMPSAb-initioMD:CPMD and CP2KQM-MMMD:CPMD and CP2K

Name

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

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.