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@MISC{deBruyn:916805,
      author       = {de Bruyn, Emile},
      title        = {{SPEADI}: {S}calable {P}rotein {E}nvironment {A}nalysis for
                      {D}ynamics and {I}ons},
      school       = {RWTH Aachen},
      reportid     = {FZJ-2023-00108},
      year         = {2022},
      abstract     = {A Python package that aims to characterise the dynamics of
                      local chemical environments from Molecular Dynamics
                      trajectories of proteins and other biomolecules.
                      Documentation:  fzj-jsc.github.io/speadi/ Host
                      repository:  gitlab.jsc.fz-juelich.de/slbio/speadi Public
                      Mirror:  github.com/FZJ-JSC/speadi},
      keywords     = {Molecular Dynamics (Other) / Protein Analysis (Other) / RDF
                      (Other) / Radial Distribution Function (Other) / Van Hove
                      Function (Other) / Time Resolved Radial Distribution
                      Function (Other) / TRRDF (Other) / Intrinsically Disordered
                      Proteins (Other) / Ion Analysis (Other)},
      cin          = {JSC},
      cid          = {I:(DE-Juel1)JSC-20090406},
      pnm          = {5111 - Domain-Specific Simulation $\&$ Data Life Cycle Labs
                      (SDLs) and Research Groups (POF4-511) / HDS LEE - Helmholtz
                      School for Data Science in Life, Earth and Energy (HDS LEE)
                      (HDS-LEE-20190612)},
      pid          = {G:(DE-HGF)POF4-5111 / G:(DE-Juel1)HDS-LEE-20190612},
      typ          = {PUB:(DE-HGF)33},
      doi          = {10.5281/ZENODO.7436712},
      url          = {https://juser.fz-juelich.de/record/916805},
}