APBS  1.4.1
sVacc Struct Reference

Oracle for solvent- and ion-accessibility around a biomolecule. More...

#include </builddir/build/BUILD/apbs/src/generic/vacc.h>

Data Fields

Vmem * mem
 
Valistalist
 
Vclistclist
 
int * atomFlags
 
VaccSurfrefSphere
 
VaccSurf ** surf
 
Vset acc
 
double surf_density
 

Detailed Description

Oracle for solvent- and ion-accessibility around a biomolecule.

Author
Nathan Baker

Definition at line 108 of file vacc.h.

Field Documentation

Vset acc

An integer array (to be treated as bitfields) of Vset type with length equal to the number of vertices in the mesh

Definition at line 120 of file vacc.h.

Valist* alist

Valist structure for list of atoms

Definition at line 111 of file vacc.h.

int* atomFlags

Array of boolean flags of length Valist_getNumberAtoms(thee->alist) to prevent double-counting atoms during calculations

Definition at line 113 of file vacc.h.

Vclist* clist

Vclist structure for atom cell list

Definition at line 112 of file vacc.h.

Vmem* mem

Memory management object for this class

Definition at line 110 of file vacc.h.

VaccSurf* refSphere

Reference sphere for SASA calculations

Definition at line 116 of file vacc.h.

VaccSurf** surf

Array of surface points for each atom; is not initialized until needed (test against VNULL to determine initialization state)

Definition at line 117 of file vacc.h.

double surf_density

Minimum solvent accessible surface point density (in pts/A^2)

Definition at line 122 of file vacc.h.


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