[phenixbb] Location of Gaussian factors for ED calculation
Pavel Afonine
pafonine at lbl.gov
Wed Jul 10 12:52:25 PDT 2013
Hi Carsten,
script run1.py prints exact density (not a Fourier synthesis!). Just run
script then get your plot: in gnuplot:
plot "z" using 1:2 with lines lw 3
Attached script run2.py plots form-factor as function of resolution for
Ca and Zn, (B-factor = 0).
plot "z" using 1:2 with lines lw 3, "z" using 1:3 with lines lw 3, "z"
using 1:4 with lines lw 3
Obviously one can customize these scripts any way you like..
Pavel
On 7/10/13 12:10 PM, Schubert, Carsten [JRDUS] wrote:
> Hi,
> Were in the phenix package can I find the Gaussian factors (scattering
> table) for calculating the isotropic ED distribution at a given radius
> of r. I just need that for an illustration. Even better of you could
> already point me to some plots. Nothing I found online so far was
> suitable.
> Thanks
> Carsten
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