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.
To use Xplor-NIH you have to register to WeNMR grid infrastructure
You can access a trial version of the service using username guest and password guest
NB: the trial version will not allow you to submit jobs on the WeNMR grid.