Using Crysol for non-biological systems

Calculation of SAXS and SANS profiles (CRYSOL, CRYSON), superposition of models (SUPCOMB, DAMAVER, DAMCLUST), database DARA
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Rei
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Joined: 2015.10.04 10:43

Using Crysol for non-biological systems

#1 Post by Rei » 2017.01.13 13:39

Hi,

hi have system where we have a nanostructure with components with both negative and positive contrasts towards the buffer. Can I use Crysol to compare our experimental data with simulation data with generated pdb.
It works but I cannot se any option to define what scattering length density of the different beads?

Thanks a lot in advance !

ckerr
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Location: EMBL Hamburg

Re: Using Crysol for non-biological systems

#2 Post by ckerr » 2017.01.13 15:36

There is no way of specifying scattering length density of different dummy CA atoms in CRYSOL. However, you could always change the model so that the dummy atoms are not carbon but rather some other element with a different scattering length.

SaxsMax
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Re: Using Crysol for non-biological systems

#3 Post by SaxsMax » 2017.01.13 18:02

If PDB file contains standard atoms, one can use Crysol in the same way as for biological molecules

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