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sVatom Struct Reference
[Vatom class]

Contains public data members for Vatom class/module. More...

#include <vatom.h>


Data Fields

double position [3]
double radius
double charge
double partID
double epsilon
int id
char resName [VMAX_RECLEN]
char atomName [VMAX_RECLEN]


Detailed Description

Contains public data members for Vatom class/module.

Author:
Nathan Baker, David Gohara, Mike Schneiders


Field Documentation

char sVatom::atomName[VMAX_RECLEN]
 

Atom name from PDB/PDR file

double sVatom::charge
 

Atomic charge

double sVatom::epsilon
 

Epsilon value for WCA calculations

int sVatom::id
 

Atomic ID; this should be a unique non-negative integer assigned based on the index of the atom in a Valist atom array

double sVatom::partID
 

Partition value for assigning atoms to particular processors and/or partitions

double sVatom::position[3]
 

Atomic position

double sVatom::radius
 

Atomic radius

char sVatom::resName[VMAX_RECLEN]
 

Residue name from PDB/PQR file


The documentation for this struct was generated from the following file:
Generated on Tue Apr 15 13:53:45 2008 for APBS by doxygen 1.3.4