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This module adds small angle X-ray scattering support to IMP.
Examples:
Author(s): Dina Schneidman, Seung Joong Kim, Yannick Spill
Version: SVN.r12662
License: LGPL. This library is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version.
Publications:
Classes | |
| class | DeltaDistributionFunction |
| class | Distribution |
| class | FormFactorTable |
| class | Profile |
| class | RadialDistributionFunction |
| class | RadiusOfGyrationRestraint |
| Calculate score based on radius of gyration, taken from saxs profile. More... | |
| class | Restraint |
| Calculate score based on fit to SAXS profile. More... | |
| class | Score |
| class | SolventAccessibleSurface |
Enumerations | |
| enum | FormFactorType { ALL_ATOMS, HEAVY_ATOMS, CA_ATOMS } |
| type of the form factors for profile calculations More... | |
Functions | |
| Float | compute_max_distance (const Particles &particles) |
| compute max distance | |
| Float | compute_max_distance (const Particles &particles1, const Particles &particles2) |
| FormFactorTable * | default_form_factor_table () |
| void | get_coordinates (const Particles &particles, std::vector< algebra::Vector3D > &coordinates) |
| void | get_form_factors (const Particles &particles, FormFactorTable *ff_table, Floats &form_factors, FormFactorType ff_type) |
| Float | radius_of_gyration (const Particles &particles) |
| compute radius_of_gyration | |
type of the form factors for profile calculations
| Float IMP::saxs::compute_max_distance | ( | const Particles & | particles | ) |
compute max distance
| Float IMP::saxs::compute_max_distance | ( | const Particles & | particles1, |
| const Particles & | particles2 | ||
| ) |
compute max distance between pairs of particles one from particles1 and the other from particles2
| Float IMP::saxs::radius_of_gyration | ( | const Particles & | particles | ) |
compute radius_of_gyration