45 double xInit,
double yInit,
double zInit,
47 double o,
double tF,
string e)
string GetName()
Return name of the atom.
string fResName
Residue name.
int fSerial
its serial number
double GetVanDerWaalsRadius()
Return name of the atom.
double fZ
Z orthogonal coordinates in Angstroms.
double GetX()
Return the X position for the Atom.
void SetNext(Atom *)
Set the next atom.
int fNumInRes
its number in residue sequence
double GetZ()
Return the Z position for the Atom.
string fElement
Element symbol extracted from 'atom name'.
Atom(int serial, string name, string resName, int numInRes, int resSeq, double xInit, double yInit, double zInit, double radius, double occupancy, double tempFactor, string element)
constructor with initialization
int fResSeq
Residue sequence number.
double fTempFactor
Temperature factor for the Atom.
double fOccupancy
Occupancy for the Atom.
double fX
X orthogonal coordinates in Angstroms.
Atom * GetNext()
Returns the next Atom.
Definition of the Atom class.
double fY
Y orthogonal coordinates in Angstroms.
string GetElementName()
Return name of the element.
int GetID()
Return the Atom's ID.
Atom * fpNext
Pointer to the next Atom.
double GetY()
Return the Y position for the Atom.