ST.h File Reference

ST file parser and titratable group builder. More...

#include "Charge.h"
#include <vector>
#include <string>

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

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Detailed Description

ST file parser and titratable group builder.

Using this file, titratable groups are build as residues, have a state and their state may be changed depending on the framework to compute pKA values.

Author:

Ilkay Sakalli