Advanced solution scattering data analysis methods and their applications
- 1 June 2000
- journal article
- research article
- Published by International Union of Crystallography (IUCr) in Journal of Applied Crystallography
- Vol. 33 (3) , 530-534
- https://doi.org/10.1107/s0021889800001370
Abstract
A method for ab initio low-resolution shape and internal structure retrieval from contrast variation solution scattering data is described. The method uses a multiphase model of a particle build from densely packed dummy atoms and employs simulated annealing to find a compact interconnected configuration of phases that fits the available experimental data. In the particular case of a single phase particle (shape determination) the method is compared to another ab initio method using low resolution envelope functions. Examples of the shape determination of several proteins from experimental X-ray scattering data are presented.Keywords
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