pyprobound.external.parse_probound_psam

parse_probound_psam(fit_final, mode_idx)

Parses a single PSAM from a ProBound fit.

Parameters:

• fit_final (dict[str, Any]) – The ProBound fit, parsed by get_fit_final.

• mode_idx (int) – The index of the binding mode in the fit.

Return type:

PSAM

Returns:

A PSAM.