lnp | MDFactory

Lipid nanoparticle (LNP) system construction.

funcpol2cart(theta, rho, z)

paramtheta

paramrho

paramz

Returns

None

funccart2pol(cart_coords)

paramcart_coords

Returns

None

funcscale_flat_to_spherical(coords, radius, zo_radius)

paramcoords

paramradius

paramzo_radius

Returns

None

funcreplicate_box_3d(box, n) → mda.Universe

Replicate a box n times in each dimension (n×n×n total copies).

paramboxmda.Universe

The unit cell box to replicate.

paramnint

Number of replications in each dimension.

Returns

MDAnalysis.Universe

A new universe with the replicated box.

funcreplicate_layer_square(box, nx, ny) → list[mda.AtomGroup]

paramboxmda.Universe

paramnxint

paramnyint

Returns

list[MDAnalysis.MDAnalysis.AtomGroup]

funcshell_from_monolayer(mono, R, z0=10.0) → mda.Universe

Create a spherical shell from a monolayer by replicating the monolayer in x and y directions to cover a circle of radius R, then projecting the atoms onto a spherical surface.

parammonomda.Universe

The input monolayer as an MDAnalysis Universe object.

paramRfloat

The radius of the spherical shell in Angstroms.

paramz0float

= 10.0

Returns

MDAnalysis.Universe

A new MDAnalysis Universe object containing the spherical shell.