Translations:Biomolecular simulation/13/en

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  • MDAnalysis is an object-oriented Python library to analyze trajectories from molecular dynamics (MD) simulations in many popular formats.
  • MDTraj can also read, write and analyze MD trajectories with only a few lines of Python code with wide MD format support.
  • Biopython is a set of freely available tools for biological computation.
  • foyer is a package for atom-typing as well as applying and disseminating force fields.
  • mBuild is a hierarchical, component based molecule builder.
  • mdsynthesis is a persistence engine for molecular dynamics data.
  • nglview: NGL Viewer is a collection of tools for web-based molecular graphics.
  • ParmEd is a general tool for aiding in investigations of biomolecular systems using popular molecular simulation packages.
  • PyRETIS is a Python library for rare event molecular simulations with emphasis on methods based on transition interface sampling and replica exchange transition interface sampling.