#include <ctype.h>
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include "Inform.h"
#include "utilities.h"
#include "intstack.h"
#include "WKFUtils.h"
#include "BaseMolecule.h"
#include "VolumetricData.h"
#include "QMData.h"
#include "QMTimestep.h"
Go to the source code of this file.
Defines | |
#define | MAXBONDERRORS 25 |
This portion of a molecule contains the structural data, and all routines to find the structure (backbone, residues, etc). It does NOT contain Timestep array; that is maintained by DrawMolecule (which is derived from this class).
Definition in file BaseMolecule.C.
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Definition at line 46 of file BaseMolecule.C. Referenced by BaseMolecule::add_bond. |