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:[log in to unmask]] On Behalf Of Jacob
Keller
Sent: Friday, January 06, 2012 9:44 AM
To: [log in to unmask]
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
<[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]
*******************************************
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