Figure 5

Procedure for EP calculus and representation. Starting from the same .pdb file used for MLP calculation, PDB2PQR adds atomic charge to each atom, then APBS calculates the EP values and stores them in a .dx file; Scivis uses the information about the mesh (previously calculated for MLP - blue squares) and the .dx file to calculate the field lines; these are imported in Blender as curves along which travel particles, emitted from their positive end.