PDBstructure Member List

This is the complete list of members for PDBstructure, including all inherited members.

_atomsPDBstructure [protected]
_numberOfAtomsPDBstructure [protected]
_numberOfFragmentsPDBstructure [protected]
_numberOfResidusPDBstructure [protected]
_spinMultiplicityPDBstructure [protected]
_systemChargePDBstructure [protected]
buildGravityCenter(double *G)PDBstructure
findMinMax(double *atomMin, double *atomMax)PDBstructure
fragmentName(const int i) const PDBstructure [inline]
fragmentName(const int i)PDBstructure [inline]
getAtomName(const int i) const PDBstructure [inline]
getElement(const int i) const PDBstructure [inline]
getElement(const int i)PDBstructure [inline]
getNumberInString(const int numResiduInMolecule)PDBstructure
numberOfAtoms() const PDBstructure [inline]
numberOfAtoms()PDBstructure [inline]
numberOfFragments() const PDBstructure [inline]
numberOfFragments()PDBstructure [inline]
numberOfResidus() const PDBstructure [inline]
numberOfResidus()PDBstructure [inline]
PDBstructure()PDBstructure
PDBstructure(const int size)PDBstructure
readPDBFile(std::ifstream &data)PDBstructure
setFragName(FragmentsDataBase &base)PDBstructure
setFragName(FragmentsDataBase &base, const std::string &type)PDBstructure
swap(const int i, const int j)PDBstructure
TelementBase typedefPDBstructure
writePDBFileForAtoms(std::ofstream &out, std::vector< int > &index)PDBstructure
writeQCIFile(std::ofstream &out)PDBstructure
writeXYZFile(std::ofstream &out)PDBstructure
writeXYZFileForAtoms(std::ofstream &out, std::vector< int > &index)PDBstructure
~PDBstructure()PDBstructure


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