InterfaceAnalyzer atom subset
Hello Everyone,
Does anyone know if it is possible to use InterfaceAnalyzer only on a subset of atoms instead of the whole proteins?
Specifically, I've recently completed 4x 2 us simulations in GROMACS and would like to understand how different positions/polar/hydrogen bonding networks of an interface loop affect interaction energy between the two proteins.
If this cannot be done, I suppose an alternative approach would be to strip all non-relevant residues with awk and then run only the subsets through InterfaceAnalyzer