1Atomes(1)                   General Commands Manual                  Atomes(1)
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NAME

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

10       atomes [options] files...
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DESCRIPTION

13       This manual page documents briefly the atomes command.
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15       atomes is a toolbox to analyze, visualize and edit/create 3D  atomistic
16       models.
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18       It  offers  a workspace to open and manage project(s) that can exchange
19       data: analysis results, atomic coordinates ...
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21       atomes also provides an advanced input preparation system for  calcula‐
22       tions using well know molecular dynamics codes:
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24              Classical MD: DLPOLY and LAMMPS
25              Ab-initio MD: CPMD and CP2K
26              QM-MM MD: CPMD and CP2K
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OPTIONS

30       This  program  follows the usual GNU command line syntax, with long op‐
31       tions starting with two dashes (`-').  A summary of options is included
32       below.  For a complete description, see the Info files.
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34       -awf, -AWF
35              Open atomes workspace file.
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37       -apf, -APF
38              Open atomes project file(s).
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40       -xyz, -XYZ
41              Import XYZ atomic coordinates(s).
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43       -pdb, -PDB
44              Import PDB atomic coordinates(s).
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46       -cif, -CIF
47              Import CIF atomic coordinate(s).
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49       -h, --help
50              Show summary of options.
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52       -v, --version
53              Show version of program.
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SEE ALSO

56       https://atomes.ipcms.fr/
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AUTHOR

60       This  manual  page  was  created  by  Sébastien Le Roux <sebastien.ler‐
61       oux@ipcms.unistra.fr>
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65                               September  2 2022                     Atomes(1)