Trajectory analyzer build in MDAnalysis for measuring residue pair distances over a simulation. The script accepts an input file in terminal to define its inputs, analysis settings, and residue pairs.

Responsible for the selection of residue atoms and coordinates and analysis templates.

Create an input.in file based on the template in the repository. Residue pairs are separated by a space, and all other values are separated by an '=' sign. In '3:RUN_SETTINGS' booleans must be capitalized as is seen in python ex 'False'. frameanalysis.py references the functions each on their own files in the analysisclass folder, while res_dist.py contains all functions on a single script for greater portability.

To run program

python res_dist.py input.in