Xplor-NIH

Xplor-NIH is a generalized software for biomolecular structure determination from experimental NMR data combined with geometric data. This is achieved by seeking the minimum of a target function comprising terms for the experimental NMR restraints, covalent geometry and non-bonded contacts using a variety of optimization procedures including molecular dynamics in Cartesian and torsion angle space, Monte Carlo methods and conventional gradient-based minimization.