schrodinger.livedesign.md.registration module

This file serves as the primary entry point for Live Design molecular dynamics.

schrodinger.livedesign.md.registration.get_registration_data(data: str, input_format: Format, options: schrodinger.livedesign.registration.RegistrationOptions | None = None) → Iterator[RegistrationData]

Yield one RegistrationData per sequence per protein of a serialized protein fmp graph.

Parameters:

• data – a string-serialized fmp graph

• input_format – input format of the data

• options – registration options

Returns:

an iterator over the sequences in each protein-ligand complex in the fmp graph.