smearing for neutron scattering/access to source code

Ab initio modelling: DAMMIF, DAMMIN, GASBOR, MONSA
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Joined: 2013.04.03 19:11

smearing for neutron scattering/access to source code

#1 Post by dggreene » 2015.11.24 23:52

I am interested in using MONSA to perform ab initio shape determination from a PEGylated protein molecule. However, my data are smeared and MONSA (or ATSAS in general) requires a resolution file. I do not have this resolution file, but I do have dQ information which can be used for Gaussian smearing at each q-point. Since these data are not currently supported by ATSAS, I would like to modify the source code to smear the models accordingly. Is the source code available to download? I was only able to find precompiled binaries in the downloads section.

Is there any plan to incorporate these types of data (Gaussian smearing) into ATSAS in a future release?


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