Extract partial charges from Mol2 files about 3dmol.js HOT 1 CLOSED

m.setColorByProperty({}, 'charge', new $3Dmol.Gradient.RWB(-0.5,0.5)); //this sets the default color of each atom based on the charge
//you can specify a mapping for a surface (or you can just let it pick up the set atom colors, but this let's you keep the atom colors at their default)
glviewer.addSurface($3Dmol.SurfaceType.VDW, {map:{prop:'partialCharge',scheme:new $3Dmol.Gradient.RWB(-.5,.5)}, opacity:0.8});