Who is ANA for?
ANA is an efficient software for tracking cavity volume changes during Molecular Dynamics simulations or any other kind of exploration of the conformational space of proteins (e.g. NMR structures, decoys).
ANA is also particularly suitable to explore cavity volume changes in predefined biologically relevant directions, e.g., Principal Component Analysis (PCA), Normal Mode Analysis (NMA) or any other direction of motion associated to a specific conformational change. This is due to ANA's robustness for numerical differentiations, which enables analysis of cavity dynamics in terms of their Volume Gradient Vector (VGV) and relative flexibility index.