Pepsi-SANS(PEPSI stands for Polynomial Expansions of Protein Structures and Interactions) is a logical extension of our Pepsi-SAXS method for small-angle neutron scattering. The method uses multipole-based scheme initially proposed by Stuhrmann (Stuhrmann, 1970). Overall, it is very fast, allows for explicit and implicit hydrogens, allows to specify the deuteration level of the sample and of the buffer and the exchange rate of labile hydrogens. It can also compute the scattering intensity in the absolute scale if the sample concentration is provided. It can fit the modelled profile on the absolute scale within a certain user-specified margin. Finally, the instrumentation resolution is taken into account during processing of the input data.
Sergei Grudinin11 Nano-D team, Inria/CNRS Grenoble, France e-mail: Sergei.Grudinin @ inria.fr
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