Data Fields

sVacc Struct Reference
[Vacc class]

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

#include <C:/Users/bake113/Desktop/Sync/Software/apbs/trunk/src/generic/apbs/vacc.h>

Collaboration diagram for sVacc:
Collaboration graph
[legend]

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 97 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 109 of file vacc.h.

Valist structure for list of atoms

Definition at line 100 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 102 of file vacc.h.

Vclist structure for atom cell list

Definition at line 101 of file vacc.h.

Vmem* mem

Memory management object for this class

Definition at line 99 of file vacc.h.

Reference sphere for SASA calculations

Definition at line 105 of file vacc.h.

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

Definition at line 106 of file vacc.h.

double surf_density

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

Definition at line 111 of file vacc.h.


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