Forschungszentrum Jülich
Published December 14, 2022 | Version v1.0.0
Software Open

SPEADI: Scalable Protein Environment Analysis for Dynamics and Ions

Creators

  • 1. Jülich Supercomputer Centre, Forschungszentrum Jülich

Description

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

Files

FZJ-JSC/speadi-v1.0.0.zip

Files (193.2 kB)

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Additional details

Related works

Is supplement to
https://github.com/FZJ-JSC/speadi/tree/v1.0.0 (URL)