schrodinger.application.desmond.packages.msys.grease module

schrodinger.application.desmond.packages.msys.grease.Grease(mol, tile, thickness=0.0, xsize=None, ysize=None, ctname='grease', verbose=True, square=False)

Build and return a new system consisting of mol plus lipid bilayer. Tile is the lipid bilayer system to replicate.

If no solute is provided, the solute is treated as a point at the origin. thickness specifies the amount of solute added along the x and y axis. The dimensions of the bilayer can also be given explicitly with dimensions. If square is true, the box size will be expanded to the size of the longest dimension.

Lipids will be created in a new Ct. Their chain names will be left the same as in the original tile, but the resids will be renumbered to ensure uniqueness.

Return the greased system; no modifications are made to the input system.