prodyna - Protein Dynamics Analysis in R

prodyna is a versatile R package for the analysis of protein dynamics. It provides

• automatic project management (filesystem-based)
• high-level interfaces to high-performance C++/CUDA codes:
  • Gromacs
  • FastPCA (www.github.com/lettis/FastPCA)
  • Clustering (www.github.com/lettis/Clustering)
• advanced plotting tailored for protein simulation data

Package reference: https://lettis.github.io/prodyna/