IMP::saxs::SolventAccessibleSurface Class Reference

#include <IMP/saxs/SolventAccessibleSurface.h>

Detailed Description

Class for estimation of accessible surface area. The probe (sampled with dots) is rolled over the atoms. The area is estimated by the number of dots that do not collide with atoms. Note, this is a rough estimate of the area (enough for SAXS).

Definition at line 22 of file SolventAccessibleSurface.h.

Public Member Functions
Vector< double >	get_solvent_accessibility (const core::XYZRs &points, double probe_radius=1.8, double density=5.0)
	estimate surface accessibility of each atom. More...

Member Function Documentation

Vector<double> IMP::saxs::SolventAccessibleSurface::get_solvent_accessibility	(	const core::XYZRs &	points,
		double	probe_radius = 1.8,
		double	density = 5.0
	)

estimate surface accessibility of each atom.

Parameters

[in]	points	A set of points for which surface accessibility is computed. Each point should have an XYZ coordinate and a radius.
[in]	probe_radius	Radius of the probe to roll over points.
[in]	density	Sampling density per A^2 for area estimation

Returns

a value between 0 to 1, for surface accessibility, where 0 means buried and 1 means fully accessible to the water

---

The documentation for this class was generated from the following file:

• SolventAccessibleSurface.h