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I like that animation a lot, as it shows the gradual nature of the lattice effect, but it is not exactly what I am looking for. I am actually just curious what the pattern behind the spots looks like for various molecules, and would like to see an image of that in various orientations. I guess one way to put it is that I would like to see what the 1.5-2 Ang diffraction pattern would be for a single, radiation-damage-impervious protein or RNA/DNA molecule given enough x-rays and time. Would the intensities-based transform image be much less complicated than the phases-based one? Would larger molecules have more complex patterns, corresponding to the amount of information in their structures? JPK On Fri, Jan 6, 2012 at 6:23 PM, James M Holton <[log in to unmask]> wrote: > You mean something like the animation at the top of this web page? > > http://bl831.als.lbl.gov/~jamesh/fastBragg/ > > This program is a relative of nearBragg, which Dale already mentioned. > > -James Holton > MAD Scientist > > On Jan 6, 2012, at 5:44 PM, Jacob Keller <[log in to unmask]> wrote: > >> Actually, as a way to make this type of figure, I think there are >> programs which output simulated diffraction images, so perhaps I could >> just input a .pdb file with some really huge (fake) cell parameters >> (10,000 Ang?), and then the resulting spots would be really close >> together and approximate the continuous molecular transform. I think >> this would amount to the same thing as the molecular transform of the >> model itself--am I right? >> >> Does anyone know which software outputs simulated diffraction images? >> >> Jacob >> >> On Fri, Jan 6, 2012 at 10:25 AM, Jacob Keller >> <[log in to unmask]> wrote: >>> Dear Crystallographers, >>> >>> has anyone come across a figure showing a normal diffraction image, >>> and then next to it the equivalent molecular transform, perhaps with >>> one image as phases and one as amplitudes? Seems like it would be a >>> very instructional slide to have to explain how crystallography works >>> (I know about Kevin Cowtan's ducks and cats--I was looking for >>> approximately the same but from protein or NA molecules.) I don't >>> think I have ever seen an actual molecular transform of a protein or >>> NA molecule. >>> >>> All the best, >>> >>> Jacob >>> >>> -- >>> ******************************************* >>> Jacob Pearson Keller >>> Northwestern University >>> Medical Scientist Training Program >>> email: [log in to unmask] >>> ******************************************* >> >> >> >> -- >> ******************************************* >> Jacob Pearson Keller >> Northwestern University >> Medical Scientist Training Program >> email: [log in to unmask] >> ******************************************* -- ******************************************* Jacob Pearson Keller Northwestern University Medical Scientist Training Program email: [log in to unmask] *******************************************