[phenixbb] Location of Gaussian factors for ED calculation

[Schubert, Carsten [JRDUS]]

Thanks Pavel,

Even better, saves me some coding. I'll give that a whirl.

Carsten

From: Pavel Afonine [mailto:pafonine at lbl.gov]
Sent: Wednesday, July 10, 2013 3:52 PM
To: PHENIX user mailing list
Cc: Schubert, Carsten [JRDUS]
Subject: Re: [phenixbb] Location of Gaussian factors for ED calculation

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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