Atomes is a Free (Open Source) cross-platform toolbox developed to analyze, to visualize and to edit/create three-dimensional atomistic models. It offers a workspace that allows to have many projects opened simultaneously.
The different projects in the workspace can exchange data: analysis results, atomic coordinates ... Atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes:
To prepare the input filles for these calculations is likely to be the key, and most complicated step towards MD simulations. Atomes offers a user-friendly assistant to help and guide the user step by step to achieve this crucial step. Features
- Analysis of 3D atomistic model: neutron and x-rays diffraction, rings statistics, chain statistics, bond order, MSD ...
- Visualization: measures, coordination polyhedras, advanced coloring, advanced design
- Edition: molecular library, crystal builder, cell edition, surface creation and passivation ...
- MD input preparation:
Atomes is developed by Dr. Sébastien Le Roux, research engineer for the CNRS
Dr. Sébastien Le Roux works at the Institut de Physique et Chimie des Matériaux de Strasbourg IPCMS
- Download the latest version of atomes sources
VERSION="1.1.14"
wget https://github.com/Slookeur/Atomes-GNU/archive/refs/tags/v$VERSION.tar.gz
- Install the
appimage-builder tool
https://appimage-builder.readthedocs.io/en/latest/intro/install.html
- Build atomes using the sources:
tar -jxf v*.tar.bz2
cd ./Atomes-*
./configure --prefix=/usr
- Create an
AppDir
directory
mkdir AppDir
- Install the newly built atomes package in the new
AppDir
directory
make install DESTDIR=$PWD"/AppDir"
- Download the recipies to build atomes appimage:
wget https://github.com/Slookeur/Atomes-appimage-build/blob/main/atomes-AppImageBuilder.yml
- Finally build the appimage using the
appimage-builder
tool
appimage-builder --recipe ./atomes-AppImageBuilder.yml
Simply double click on the appimage
The documenation is hosted on GitHub here: Atomes documentation