Is anyone aware of a third-party tool to calculate electrostatic potential distributions as 3D maps or along a given vector? Basically, I have a membrane with a hole and would like to plot electrostatic potential along the vector crossing the hole, perpendicularly to the membrane. The box is a hexagonal prism, periodic in all directions. gmx potential is entirely inadequate for this, so I wonder how others have accomplished similar tasks.
I’m not sure if this is the same plugin, but there is the PME Electrostatics tool in VMD and it does produce a .dx file (with hexagonal symmetry unfortunately mangled into some orthorhombic thing). Now the question is what to do with that file, given that all I really need is a subzone along a straight line. Is there an existing software that could do this? Chimera seems to be mostly a visualization tool…
Thanks!