Atomes: a toolbox to analyze, to visualize and to create/edit 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:
- Classical MD: DLPOLY and LAMMPS
- ab-initio MD: CPMD and CP2K
- QM-MM MD: CPMD and CP2K
To prepare the input files 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 scientist step by step to achieve this crucial step.