Main Page
|
Namespace List
|
Class Hierarchy
|
Alphabetical List
|
Class List
|
Directories
|
File List
|
Class Members
|
File Members
|
S
earch for
PDBstructure Member List
This is the complete list of members for
PDBstructure
, including all inherited members.
_atoms
PDBstructure
[protected]
_numberOfAtoms
PDBstructure
[protected]
_numberOfFragments
PDBstructure
[protected]
_numberOfResidus
PDBstructure
[protected]
_spinMultiplicity
PDBstructure
[protected]
_systemCharge
PDBstructure
[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
typedef
PDBstructure
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
Generated on Sat Jan 28 21:07:33 2006 for QC++ by
1.4.4