Contains public data members for Vatom class/module.
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#include </builddir/build/BUILD/apbs-pdb2pqr-apbs-1.5/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.
◆ atomName
Atom name from PDB/PDR file
Definition at line 98 of file vatom.h.
◆ charge
Atomic charge
Definition at line 88 of file vatom.h.
◆ epsilon
Epsilon value for WCA calculations
Definition at line 91 of file vatom.h.
◆ id
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.
◆ partID
Partition value for assigning atoms to particular processors and/or partitions
Definition at line 89 of file vatom.h.
◆ position
Atomic position
Definition at line 86 of file vatom.h.
◆ radius
Atomic radius
Definition at line 87 of file vatom.h.
◆ resName
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: