Open ninamiolane opened 2 years ago
Helena is working on adding a lipid belt to a membrane protein. The forward model has just a few simple geometric parameters in it.
By "model the belt analytically" do you mean
OF course, it can be both... but they will be distinct code
The way we are currently implementing it is by putting atoms within an ellipsoid defined by the geometric parameters, and subtract the protein in the center (to be done this week by Helena). The model will then be converted into a pdb file that can be passed to the TEM simulator
Implementations should model the belt analytically
When computing the integral, one needs to subtract the protein in the center: