IsoelectricPoint.h File Reference

#include <OpenMS/CHEMISTRY/AASequence.h>
#include <OpenMS/CONCEPT/Types.h>
#include <unordered_map>

Include dependency graph for IsoelectricPoint.h:

Go to the source code of this file.

Classes
class	IsoelectricPoint
struct	IsoelectricPoint::PkaValues
	Internal struct holding pKa values for a given scale. More...

Namespaces
namespace	OpenMS
	Main OpenMS namespace.

Enumerations
enum class	ProteomicsPkaScale {   LEHNINGER = 0 , EMBOSS = 1 , SILLERO = 2 , BJELLQVIST = 3 ,   SIZE_OF_PROTEOMICS_PKA_SCALES }
	Utility class for computing the isoelectric point (pI) and net charge of peptides. More...

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Class Documentation

OpenMS::IsoelectricPoint::PkaValues

struct OpenMS::IsoelectricPoint::PkaValues

Internal struct holding pKa values for a given scale.

Collaboration diagram for IsoelectricPoint::PkaValues:

Class Members
double	C	Cysteine side chain.
double	cterm	pKa of the C-terminal carboxyl group (default; overridden per residue when cterm_by_residue is non-empty)
unordered_map< char, double >	cterm_by_residue	Per-residue C-terminal pKa (Bjellqvist scale). Overrides cterm for the last residue when non-empty.
double	D	Aspartate side chain.
double	E	Glutamate side chain.
double	H	Histidine side chain.
double	K	Lysine side chain.
double	nterm	pKa of the N-terminal amino group (default; overridden per residue when nterm_by_residue is non-empty)
unordered_map< char, double >	nterm_by_residue	Per-residue N-terminal pKa (Bjellqvist scale). Overrides nterm for the first residue when non-empty.
double	R	Arginine side chain
double	Y	Tyrosine side chain.