sVacc Struct Reference
[Vacc class]

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

#include <vacc.h>

Collaboration diagram for sVacc:

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Data Fields
Vmem *	mem
Valist *	alist
Vclist *	clist
int *	atomFlags
VaccSurf *	refSphere
VaccSurf **	surf
Vset	acc
double	surf_density

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Detailed Description

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

Author:

Nathan Baker

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Field Documentation

Vset sVacc::acc

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

Valist* sVacc::alist

Valist structure for list of atoms

int* sVacc::atomFlags

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

Vclist* sVacc::clist

Vclist structure for atom cell list

Vmem* sVacc::mem

Memory management object for this class

VaccSurf* sVacc::refSphere

Reference sphere for SASA calculations

VaccSurf** sVacc::surf

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

double sVacc::surf_density

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

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

• vacc.h

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