Oracle for solvent- and ion-accessibility around a biomolecule.
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#include </builddir/build/BUILD/apbs/src/generic/vacc.h>
Oracle for solvent- and ion-accessibility around a biomolecule.
- Author
- Nathan Baker
Definition at line 108 of file vacc.h.
◆ 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.
◆ alist
Valist structure for list of atoms
Definition at line 111 of file vacc.h.
◆ 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.
◆ clist
Vclist structure for atom cell list
Definition at line 112 of file vacc.h.
◆ mem
Memory management object for this class
Definition at line 110 of file vacc.h.
◆ refSphere
Reference sphere for SASA calculations
Definition at line 116 of file vacc.h.
◆ 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.
◆ 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: