ST Class Reference

This class is a datastructure to represent ST files. These files hold all information about titratable groups in the protein. More...

#include <ST.h>

List of all members.

Public Member Functions
	ST (string _titGroupName, char _state, int _stateNr, float _shift, vector< Charge >_rules, float _shiftCycle0)
string	getTitGroupName ()
char	getState ()
int	getStateNr ()
float	getShift ()
float	getShiftCycle0 ()
vector< Charge >	getRules ()
void	print ()
Private Attributes
string	titGroupName
char	state
int	stateNr
float	shift
vector< Charge >	rules
float	shiftCycle0

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Detailed Description

This class is a datastructure to represent ST files. These files hold all information about titratable groups in the protein.

Titratable groups are generated and have a state. They can ge shifted to another state depending on the framework of pKA compuations. Every titratable group type may have an average energy shift value for one-cycle approach computations.

Author:

Ilkay Sakalli

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Constructor & Destructor Documentation

ST::ST	(	string	_titGroupName,
		char	_state,
		int	_stateNr,
		float	_shift,
		vector< Charge >	_rules,
		float	_shiftCycle0
	)		[inline]

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Member Function Documentation

vector<Charge> ST::getRules

(

)

[inline]

float ST::getShift

(

)

[inline]

float ST::getShiftCycle0

(

)

[inline]

char ST::getState

(

)

[inline]

int ST::getStateNr

(

)

[inline]

string ST::getTitGroupName

(

)

[inline]

void ST::print

(

)

[inline]

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Member Data Documentation

vector<Charge> ST::rules [private]

float ST::shift [private]

float ST::shiftCycle0 [private]

char ST::state [private]

int ST::stateNr [private]

string ST::titGroupName [private]

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The documentation for this class was generated from the following file:

• ST.h