Table 1 Methods for theoretical profile calculation

CRYSOL [34]

Multipole expansion

Implicit water layer based on envelope function

Atomic

Server, download http://www.embl-hamburg.de/biosaxs/crysol.html

solX [35]

Debye formula

-

Atomic

ORNL_SAS [36]

Monte-Carlo sampling

Implicit water layer

Grid representation

Download http://www.ornl.gov/sci/csd/Research_areas/MS_csmb_comp_methods.htm

SoftWAXS [37]

Numerical quadrature

Implicit water layer

Atomic

Fast-SAXS [38]

Debye formula

Explicit placement of water molecules

Coarse-grained residue level

http://yanglab.case.edu/software.html

Park et al. [39]

Spherical quadrature

Explicit placement of water molecules

Atomic

Stovgaard et al. [40]

Debye formula

-

Coarse-grained, 1 or 2 points per-residue

AXES [41]

Numerical quadrature

Explicit placement of water molecules

Atomic

Server http://spin.niddk.nih.gov/bax/nmrserver/saxs1/

FoXS [42]

Debye formula

Implicit water layer based on surface accessibility

Atomic or coarse-grained residue level

Source code, server, download, Chimera http://salilab.org/foxs/

AquaSAXS [43]

Cubature formula

AquaSol solvent density map

Atomic

Server http://lorentz.dynstr.pasteur.fr/aquasaxs/aquasaxs_submission.php

Virtanen et al. [44]

Debye formula or Cube model

HyPred based on MD simulations

Atomic, MD simulation

Zernike Polynomials [45]

Zernike polynomial expansions

Hydration layer from voxelized representation

Atomic

Source code, server, download http://sastbx.als.lbl.gov/cgi-bin/intensity.html