// Import the data electrondensity = Import("watermolecule"); // Partition the data electrondensity = Partition(electrondensity); // Create a camera for the data camera = AutoCamera(electrondensity,"off-diagonal"); // Create a cutting plane through the data. The point [1 0 -0.9] and // the normals [0 0 1] (the default) define the plane plane = MapToPlane(electrondensity,[1 0 -0.9]); // Color the plane based on the data values plane = AutoColor(plane); // RubberSheet deforms the plane based on the data values. rubbersheet = RubberSheet(plane); // Add shading using the Normals module rubbersheet = Normals(rubbersheet); // Display the result Display(rubbersheet,camera); // Create a maptoplane through the center of the data plane = MapToPlane(electrondensity); // Post the data so that it is dependent on connections rather than // upon positions plane = Post(plane,"connections"); // Color the plane using AutoColor plane = AutoColor(plane); // Deform the colored plane using RubberSheet deformed = RubberSheet(plane); // Add face-dependent normals and Display deformed = FaceNormals(deformed); macro movecamera(direction) { camera = AutoCamera(deformed,direction,width=3); Display(deformed,camera); } direction = Direction(azimuth=50, elevation=30); movecamera(direction); direction = Direction(azimuth=30, elevation=30); movecamera(direction); direction = Direction(azimuth=10, elevation=30); movecamera(direction); direction = Direction(azimuth=-10, elevation=30); movecamera(direction); // create an isosurface of the data isosurface = Isosurface(electrondensity,0.3); // compute the gradient of the electron density and map it onto the // isosurface gradient = Gradient(electrondensity); mapped = Map(isosurface,gradient); // Take the magnitude of the gradient on the isosurface mapped = Compute("mag($0)", mapped); // RubberSheet the mapped isosurface, then give it an opacity < 1.0 mapped = AutoColor(mapped); deformed = RubberSheet(mapped); deformed = Color(deformed,opacity=0.3); // Collect the deformed isosurface with the original isosurface and display collected = Collect(isosurface,deformed); camera = AutoCamera(collected); Display(collected,camera);