Galaxy | Tool Preview

Angle Analysis (version 1.0.0+galaxy0)

What it does

This tool calculates and plots the angle between three atoms.


Input

  • Trajectory file (DCD).
  • PDB file.
  • Segment IDs, residue IDs and names of the three atoms for calculating angles.

Note that a MDAnalysis 'segment' is a larger organizational unit, for example one protein or all the solvent molecules or simply the whole system.


Output

  • Tab-separated file of raw data of the angle between three atoms calculated for each frame.
  • Image (as png) of the time series graph.