Contains public data members for Vatom class/module.
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#include <C:/Users/bake113/Desktop/Sync/Software/apbs/trunk/src/generic/apbs/vatom.h>
Detailed Description
Contains public data members for Vatom class/module.
- Author:
- Nathan Baker, David Gohara, Mike Schneiders
Definition at line 73 of file vatom.h.
Field Documentation
Atom name from PDB/PDR file
Definition at line 87 of file vatom.h.
Atomic charge
Definition at line 77 of file vatom.h.
Epsilon value for WCA calculations
Definition at line 80 of file vatom.h.
Atomic ID; this should be a unique non-negative integer assigned based on the index of the atom in a Valist atom array
Definition at line 82 of file vatom.h.
Partition value for assigning atoms to particular processors and/or partitions
Definition at line 78 of file vatom.h.
Atomic position
Definition at line 75 of file vatom.h.
Atomic radius
Definition at line 76 of file vatom.h.
Residue name from PDB/PQR file
Definition at line 86 of file vatom.h.
The documentation for this struct was generated from the following file: