New version of AQUA-DUCT is available (Release 0.5.9)


  • Rewritten module for MD data access. Sandwich mode added.
  • Coordinates can be stored in cache directory, in memory or generated on demand.
  • Support for long trajectories.
  • Passing through paths are supported.
  • Improvements in visualization script.
  • Coordinates of residues are calculated as center of geometry.
  • Recommended MDAnalysis is set to >=0.16 and <0.17. Version 0.17 is supported but not recommended.
  • Bug fixes and code cleanup.

For more specific information on new functionalities see changelog at