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.