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==== Ramp + Distance Measure ==== Using a ramp and a distance measure, we can color the surface by some property--here, I'll chose distance from some important atom in the receptor to the ligand atom. <gallery perrow=3 widths=250 heights=250> Image:Surface_by_prop3.png|Ligand surface colored by distance from some given atom. The remainder of the protein is hidden to more clearly visualize the calculated distances and surface color Image:Surface_by_prop.png </gallery> To reproduce the results shown here you must do the following: * obtain a protein * calculate some property for some set of atoms (like distance from some central location) and stuff the values into the b-factor * create a new object from the atoms for which you just measured a property * create a new ramp from the object with ramp_new * set the surface color of the new object Another possible application of the ramp_new command can be the representation of the ELF function [http://en.wikipedia.org/wiki/Electron_localization_function]. This function can be calculated with the TopMod software [http://www.lct.jussieu.fr/suite64.html]. * Load the cube file containing the ELF function, e.g. H2O_elf.cube. * Create an isosurface with a contour level of 0.8. <source lang="python">isosurface elf, H2O_elf, 0.8</source> * Load the cube containing the basin information, e.g. H20_esyn.cube. Basically in this cube for each point in the first cube you have either one of the numbers from 1 to 5. More details on what these numbers mean can be found in the TopMod manual. * Create a new ramp. <source lang="python">ramp_new ramp, H2O_esyn, [1, 2, 3, 5], [tv_orange, lightblue, palegreen, deeppurple]</source> * Assign the color ramp to the ELF isosurface. <source lang="python">set surface_color, ramp, elf</source> * Rebuild if necessary. <source lang="python">rebuild</source> <gallery perrow=2 widths=250 heights=250> Image:H2O.png|Localization domains of H2O. The bounding isosurface is ELF=0.8 Image:BeCl2.png|Localization domains of BeCl2. The bounding isosurface is ELF=0.8 </gallery>
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