Contains public data members for Vatom class/module.
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#include </builddir/build/BUILD/apbs/src/generic/vatom.h>
Contains public data members for Vatom class/module.
- Author
- Nathan Baker, David Gohara, Mike Schneiders
Definition at line 84 of file vatom.h.
Atom name from PDB/PDR file
Definition at line 98 of file vatom.h.
Atomic charge
Definition at line 88 of file vatom.h.
Epsilon value for WCA calculations
Definition at line 91 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 93 of file vatom.h.
Partition value for assigning atoms to particular processors and/or partitions
Definition at line 89 of file vatom.h.
Atomic position
Definition at line 86 of file vatom.h.
Atomic radius
Definition at line 87 of file vatom.h.
Residue name from PDB/PQR file
Definition at line 97 of file vatom.h.
The documentation for this struct was generated from the following file: