artifacts | MDFactory

Artifact producers and registry for simulation artifacts.

attributeARTIFACT_REGISTRYdict[str, dict[str, Callable]]

= {'bilayer': {'last_frame_pdb': create_last_frame_pdb_artifact, 'bilayer_snapshot': render_bilayer_snapshot, 'bilayer_movie': render_bilayer_movie, 'conformational_density': conformational_density_map}, 'mixedbox': {'last_frame_pdb': create_last_frame_pdb_artifact}}

funccreate_last_frame_pdb_artifact(simulation, filename='last_frame.pdb', **_kwargs) → Path

Write the last frame of the trajectory to a PDB file.

paramsimulationSimulation

Simulation instance owning the artifact

paramfilenamestr

= 'last_frame.pdb'

Output filename

param_kwargs

= {}

Returns

pathlib.Path

Path to the created PDB file