POWAINDv1.0
Protein Water Interactions Determination, version 1.0
.... While X-ray diffraction can detect the former, the latter is suitably detected by NMR method.
In this context, the question as to how to gain insight into these shell-water and protein interactions has been highly relevant.
In this end, POWAINDv1.0 has been a program that extracts detailed analytical information on interactions a] between shell-water and protein-atom/ residue groups and b] among multiple atoms (bridge interactions) of water with an atom/residue of a protein or vice-versa.