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Membrane proteins can easily be placed in the vesicle simulation. They just need to be oriented with the membrane on the xy-plane of their coordinate system. The user should also provide an input for the z-height of the membrane relative to the macromolecules coordinates.
Biggest issues for implementation:
memory concerns for sampling of atoms to electrostatic potential for GPUs (and time for CPU)
ground truth annotations of the particles: class mask needs to be generated per vesicle and classes need to remain unique for each simulation
The text was updated successfully, but these errors were encountered:
Membrane proteins can easily be placed in the vesicle simulation. They just need to be oriented with the membrane on the xy-plane of their coordinate system. The user should also provide an input for the z-height of the membrane relative to the macromolecules coordinates.
Biggest issues for implementation:
The text was updated successfully, but these errors were encountered: