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Alpha -- modules under development

Capriqorn Calculates neutron and X-ray scattering profiles from input structures.

Bayesian Ensemble Estimator Finds the optimal ensemble model(s) from a library of user-supplied theoretical states fit to interpolated scattering data.

Eros A module that implements a heuristic algorithm using maximum entropy and simulated annealing to determine plausible sub-ensemble fits to scattering data.

Docking Generates structures by performing molecular docking based on surface similarity.

PDB Rx Attempts to correct mistakes in user supplied PDB file (alpha).

SasCalc-PBC Calculates average neutron and X-ray scattering profiles from input structures derived from molecular systems from simulations with periodic boundary conditions.

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