What it does

This tool calculates and plots dihedral angles (angle between two intersecting planes) between four atoms.

Input

• Trajectory file (DCD).
• PDB file.
• Segment IDs, residue IDs and names of the four atoms to calculate the dihedral angle.

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 dihedral angle calculated for each frame.
• Image (as png) of the time series graph.