{
  "annotation_id": "eda8e8a9-399a-45d8-85b3-76e51bec36a4",
  "date_created": "2026-03-02T18:01:14.980000Z",
  "date_modified": "2026-03-02T18:01:14.980000Z",
  "file_hash": "8e1731a0ecbc0991f9bd0644c84bfc6d1b20e985346287149fd07227b1b84b65",
  "private": false,
  "record": {
    "abstract": "Computational tools for normal mode analysis, which are widely used in\nphysics and materials science problems, are designed here in a single package\ncalled NMscatt (Normal Modes \u0026 scattering) that allows arbitrarily large\nsystems to be handled. The package allows inelastic neutron and X-ray\nscattering observables to be calculated, allowing comparison with experimental\ndata produced at large scale facilities. Various simplification schemes are\npresented for analysing displacement vectors, which are otherwise too\ncomplicated to understand in very large systems.",
    "arxiv_id": "physics/0612174",
    "authors": [
      "Franci Merzel",
      "Fabien Fontaine-Vive",
      "Mark R. Johnson"
    ],
    "categories": [
      "physics.comp-ph",
      "physics.chem-ph"
    ],
    "doi": "10.1016/j.cpc.2007.02.114",
    "title": "NMscatt: a program for calculating inelastic scattering from large   biomolecular systems using classical force-field simulations",
    "url": "https://arxiv.org/abs/physics/0612174"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "14033183-f26d-4079-91af-e3ea679571e6",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}