What it does

End-to-End distance timeseries and histogram for proteins. The termini are chosen as ends with the N atom of the N-terminus and the C atom of the C-terminus chosen.

Input

• Trajectory file (DCD).
• PDB file.
• Segment ID for the protein
• Graph series label and title

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 timeseries raw data
• Image (as png) of the end-to-end timeseries and histogram