IMP::saxs::SolventAccessibleSurface Class Reference

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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).

Public Member Functions
IMP::Floats	get_solvent_accessibility (const core::XYZRs &points, float probe_radius=1.8, float density=5.0)
	estimate surface accessability of each atom.

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Member Function Documentation

IMP::Floats IMP::saxs::SolventAccessibleSurface::get_solvent_accessibility	(	const core::XYZRs &	points,
		float	probe_radius = 1.8,
		float	density = 5.0
	)

estimate surface accessability of each atom.

Parameters:

[in]	points	A set of points for which surface accessability 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 accessability, where 0 means buried and 1 means fully accessible to the water

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

• SolventAccessibleSurface.h
• saxs/__init__.py