HDXer is a package to compute Hydrogen-Deuterium exchange data from biomolecular simulations, compare to experiment, and perform ensemble refinement to fit a structrual ensemble to the experimental data
MDtraj is currently under low maintainance and might be discontinued soon.
It might be useful to replace it in the near future with another package that reads topology and trajectories
MDtraj is currently under low maintainance and might be discontinued soon. It might be useful to replace it in the near future with another package that reads topology and trajectories