cholesterol_tilt | MDFactory

Cholesterol tilt angle analysis.

func_cholesterol_tilt_frame(atomgroup, species_map, z_axis) → list[dict[str, float | int | str]]

paramatomgroup

paramspecies_map

paramz_axis

Returns

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

funccholesterol_tilt(simulation, *, start_ns=None, last_ns=200.0, stride=1, backend='multiprocessing', n_workers=4) → pd.DataFrame

Compute cholesterol tilt angles relative to the bilayer normal.

paramsimulationSimulation

Simulation instance with universe and build input.

paramstart_nsfloat | None

= None

Start analysis from this time in nanoseconds. Ignored when last_ns is set.

paramlast_nsfloat | None

= 200.0

Analyze the last N ns of the trajectory. Use None for full trajectory.

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, resid, resname, leaflet, tilt_deg.