IMP
2.0.1
The Integrative Modeling Platform
|
#include <IMP/saxs/SolventAccessibleSurface.h>
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. More... | |
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.
IMP::Floats IMP::saxs::SolventAccessibleSurface::get_solvent_accessibility | ( | const core::XYZRs & | points, |
float | probe_radius = 1.8 , |
||
float | density = 5.0 |
||
) |
[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 |