leaflet_distribution

Leaflet/top-mid-bottom lipid distribution analysis.

func_leaflet_distribution_frame(atomgroup, species_map, z1_value) → list[dict[str, float | int | str]]

paramatomgroup

paramspecies_map

paramz1_value

Returns

list[dict[str, float | int | str]]

funcleaflet_distribution(simulation, *, z1_fraction=0.25, stride=1, backend='multiprocessing', n_workers=4) → pd.DataFrame

Count lipid species in top, mid, bottom regions over time.

paramsimulationSimulation

Simulation instance with universe and build input.

paramz1_fractionfloat

= 0.25

Fraction of bilayer thickness assigned to top/bottom regions.

paramstrideint

= 1

Frame stride.

parambackendstr

= 'multiprocessing'

MDAnalysis backend for parallel execution.

paramn_workersint

= 4

Number of workers for parallel execution.

Returns

pandas.DataFrame

Columns: time_ns, frame, resname, region, count.