soap_protein_od.Scorer() — create a new scorer to evaluate SOAP-Protein-OD energies

Scorer(library='$LIB/soap_protein_od.hdf5', group=physical.xy_distance)

See soap_loop.Scorer() for more details.

SOAP-Protein-OD is an orientation-dependent potential. It can only be used for scoring (not optimization) as its first derivatives are zero.

This can also be used for manual assessment (see selection.assess()) or automatic assesment of automodel models (see Section 2.2.3).

Automatic builds 2017-07-19