BALL
1.4.79
|
Classes | |
class | BALL::GraphEdge< Vertex, Edge, Face > |
class | BALL::GraphFace< Vertex, Edge, Face > |
class | BALL::GraphTriangle< Vertex, Edge, Face > |
class | BALL::GraphVertex< Vertex, Edge, Face > |
class | BALL::ReducedSurface |
struct | BALL::RSComputer::ProbePosition |
class | BALL::RSComputer |
class | BALL::RSEdge |
class | BALL::RSFace |
class | BALL::RSVertex |
class | BALL::SASEdge |
class | BALL::SASFace |
class | BALL::SASVertex |
class | BALL::SESEdge |
class | BALL::SESFace |
class | BALL::SESVertex |
class | BALL::SolventAccessibleSurface |
class | BALL::SolventExcludedSurface |
class | BALL::SESComputer |
struct | BALL::SESSingularityCleaner::ProbeIntersection |
class | BALL::SESSingularityCleaner |
class | BALL::SurfaceProcessor |
class | BALL::Triangle |
class | BALL::TriangleEdge |
class | BALL::TrianglePoint |
class | BALL::TriangulatedSAS |
class | BALL::SASTriangulator |
class | BALL::TriangulatedSES |
class | BALL::SESTriangulator |
class | BALL::TriangulatedSurface |
struct | BALL::TriangulatedSphere::Face |
class | BALL::TriangulatedSphere |
Functions | |
BALL_EXPORT float | BALL::calculateSESAtomAreas (const AtomContainer &fragment, HashMap< const Atom *, float > &atom_areas, float probe_radius=1.5) |
BALL_EXPORT float | BALL::calculateSESArea (const AtomContainer &fragment, float probe_radius=1.5) |
BALL_EXPORT float | BALL::calculateSESVolume (const AtomContainer &fragment, float probe_radius=1.5) |
Enums | |
enum | BALL::SESEdge::Type { BALL::SESEdge::TYPE_CONCAVE = 0, BALL::SESEdge::TYPE_CONVEX = 1, BALL::SESEdge::TYPE_SINGULAR = 2 } |
Enums | |
enum | BALL::SESFace::Type { BALL::SESFace::TYPE_SPHERIC = 0, BALL::SESFace::TYPE_TORIC = 1, BALL::SESFace::TYPE_CONTACT = 2, BALL::SESFace::TYPE_TORIC_SINGULAR = 3 } |
Enums | |
enum | BALL::SurfaceProcessor::SurfaceType { BALL::SurfaceProcessor::SOLVENT_EXCLUDED_SURFACE, BALL::SurfaceProcessor::SOLVENT_ACCESSIBLE_SURFACE } |
status of an atom 0
on surface 1
inside 2
outside
Enumerator | |
---|---|
STATUS_ON_SURFACE | |
STATUS_INSIDE | |
STATUS_UNKNOWN |
Definition at line 502 of file reducedSurface.h.
status of the probe positions of three atoms: 0
ok 1
not ok 2
not tested
Enumerator | |
---|---|
STATUS_OK | |
STATUS_NOT_OK | |
STATUS_NOT_TESTED |
Definition at line 490 of file reducedSurface.h.
Enumerator | |
---|---|
SOLVENT_EXCLUDED_SURFACE | |
SOLVENT_ACCESSIBLE_SURFACE |
Definition at line 57 of file surfaceProcessor.h.
enum BALL::SESEdge::Type |
enum BALL::SESFace::Type |
BALL_EXPORT float BALL::calculateSESArea | ( | const AtomContainer & | fragment, |
float | probe_radius = 1.5 |
||
) |
Calculate the solvent excluded surface area analytically. This method uses the algorithm by Michael L. Connolly. ?????
fragment | the kernel object containing the atoms |
probe_radius | the probe radius used for the SAS |
BALL_EXPORT float BALL::calculateSESAtomAreas | ( | const AtomContainer & | fragment, |
HashMap< const Atom *, float > & | atom_areas, | ||
float | probe_radius = 1.5 |
||
) |
Calculate the solvent excluded surface area analytically. This method uses the algorithm by Michael L. Connolly. ?????
fragment | the kernel object containing the atoms |
probe_radius | the probe radius used for the SAS |
atom_areas |
BALL_EXPORT float BALL::calculateSESVolume | ( | const AtomContainer & | fragment, |
float | probe_radius = 1.5 |
||
) |
Calculate the solvent excluded volume analytically. This method uses the algorithm by Michael L. Connolly. ?????
fragment | the kernel object containing the atoms |
probe_radius | the probe radius used for the SAS |