MRlike

MRlike is a computational tool designed for analyzing molecular dynamics simulation trajectories. It facilitates the visualization and quantitative assessment of molecular motions and structural changes over time. The software provides a range of functionalities, including the calculation of root-mean-square deviation (RMSD) to track the overall structural stability of a system, as well as root-mean-square fluctuation (RMSF) to identify regions of high or low flexibility.

Beyond basic structural metrics, MRlike can also compute various other properties relevant to molecular dynamics studies. This may include analyses of inter-residue distances, dihedral angles, and hydrogen bond formation. The tool is intended to assist researchers in interpreting the complex data generated by molecular simulations, enabling them to gain insights into the dynamic behavior of molecules. Its interface is designed to be user-friendly, allowing for efficient processing and exploration of simulation data. MRlike supports common trajectory file formats, making it compatible with output from various simulation packages.