CMVDNAn
CMVDNAn is a computational tool designed for the analysis of molecular dynamics simulation data. It focuses on extracting and characterizing dynamic properties of biological macromolecules, such as proteins and nucleic acids. The software provides a suite of algorithms to process trajectories generated by various molecular dynamics engines, enabling researchers to investigate conformational changes, identify important motions, and quantify molecular flexibility.
Key features of CMVDNAn include modules for principal component analysis (PCA), essential dynamics (ED), and normal
The tool also offers functionalities for clustering trajectories into distinct conformational states and for calculating root-mean-square