This may give some idea: Illustration of a molecule and its cosine transform:
http://www.ruppweb.org/garland/gallery/Ch6/pages/Biomolecular_Crystallograph y_Fig_6-16.htm and sampled by lattice points http://www.ruppweb.org/garland/gallery/Ch6/pages/Biomolecular_Crystallograph y_Fig_6-01_PART3.htm BR -----Original Message----- From: CCP4 bulletin board [mailto:[email protected]] On Behalf Of Jacob Keller Sent: Friday, January 06, 2012 9:44 AM To: [email protected] Subject: Re: [ccp4bb] Molecular Transform Superimposed on a Dataset 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 <[email protected]> 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: [email protected] > ******************************************* -- ******************************************* Jacob Pearson Keller Northwestern University Medical Scientist Training Program email: [email protected] *******************************************
