68 unsigned short int &isDNA,
69 unsigned short int verbose);
79 double &dX,
double &dY,
double &dZ,
80 double &tX,
double &tY,
double &tZ);
87 double x,
double y,
double z,
88 int &numStrand,
int &numNucleotid,
int &codeResidue);
Barycenter * ComputeNucleotideBarycenters(Molecule *moleculeListTemp)
Compute nucleotide barycenter from memory.
double DistanceTwo3Dpoints(double xA, double xB, double yA, double yB, double zA, double zB)
return distance between two 3D points
Definition of the Barycenter class.
void ComputeNbNucleotidsPerStrand(Molecule *moleculeListTemp)
Compute number of nucleotide per strand.
unsigned short int ComputeMatchEdepDNA(Barycenter *, Molecule *, double x, double y, double z, int &numStrand, int &numNucleotid, int &codeResidue)
Compute if energy is deposited in per atom.
Definition of the PDBmolecule class.
Molecule * Load(const string &filename, unsigned short int &isDNA, unsigned short int verbose)
Load PDB file into memory.
const G4double x[NPOINTSGL]
int fNbNucleotidsPerStrand
Number of nucleotid per strand.
void ComputeBoundingVolumeParams(Molecule *moleculeListTemp, double &dX, double &dY, double &dZ, double &tX, double &tY, double &tZ)
Compute the corresponding bounding volume parameters.
PDBlib()
First constructor.