viewSq, a Visual Molecular Dynamics (VMD) module for calculating, analyzing, and visualizing X-ray and neutron structure factors from atomistic simulations.
Travis MackoyBharat KaleMichael E. PapkaRalph A. WheelerPublished in: Comput. Phys. Commun. (2021)
Keyphrases
- x ray
- molecular dynamics
- x ray images
- medical imaging
- intraoperative
- digital x ray images
- molecular dynamics simulations
- high performance computing
- transmission electron microscopy
- electron microscopy
- metal oxide
- scientific data
- three dimensional
- protein folding
- tomographic images
- dual energy
- electron beam
- guide wire