Oracle for solvent- and ion-accessibility around a biomolecule.
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#include <C:/Users/bake113/Desktop/Sync/Software/apbs/trunk/src/generic/apbs/vacc.h>
Detailed Description
Oracle for solvent- and ion-accessibility around a biomolecule.
- Author:
- Nathan Baker
Definition at line 97 of file vacc.h.
Field Documentation
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.
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.
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.
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: