embiep.c

Function embIepPkNew

Create a pK array to hold amino acid pK data

Prototype

double** embIepPkNew (
      void
);

Type Name Read/Write Description

double** RETURN pK data

Type	Name	Read/Write	Description
`double**`		RETURN	pK data

From EMBOSS 6.1.0

Function embIepPkNewFile

Create a pK array and read the data from a file

Prototype

AjBool embIepPkNewFile (
      AjPFile pkfile,
      double*** pK
);

Type Name Read/Write Description

AjPFile pkfile Modify Amino acid pKa data file

double*** pK Output Arrays of pK values

AjBool RETURN True on success

Type	Name	Read/Write	Description
`AjPFile`	`pkfile`	Modify	Amino acid pKa data file
`double***`	`pK`	Output	Arrays of pK values
`AjBool`		RETURN	True on success

From EMBOSS 6.6.0

Prototype

void embIepPkDel (
      double*** pK
);

Type Name Read/Write Description

double*** pK Output pKs

void RETURN

Type	Name	Read/Write	Description
`double***`	`pK`	Output	pKs
`void`		RETURN

From EMBOSS 6.1.0

Function embIepPhToHconc

Convert pH to hydrogen ion concontration

Prototype

double embIepPhToHconc (
      double pH
);

Type Name Read/Write Description

double pH Input pH

double RETURN hydrogen ion concentrration

Type	Name	Read/Write	Description
`double`	`pH`	Input	pH
`double`		RETURN	hydrogen ion concentrration

From EMBOSS 4.0.0

Function embIepPhFromHconc

Convert hydrogen ion concontration to pH

Prototype

double embIepPhFromHconc (
      double H
);

Type Name Read/Write Description

double H Input H

double RETURN pH

Type	Name	Read/Write	Description
`double`	`H`	Input	H
`double`		RETURN	pH

From EMBOSS 4.0.0

Prototype

double embIepPkToK (
      double pK
);

Type Name Read/Write Description

double pK Input pK

double RETURN dissociation constant

Type	Name	Read/Write	Description
`double`	`pK`	Input	pK
`double`		RETURN	dissociation constant

From EMBOSS 1.0.0

Prototype

double embIepPkFromK (
      double K
);

Type Name Read/Write Description

double K Input K

double RETURN pK

Type	Name	Read/Write	Description
`double`	`K`	Input	K
`double`		RETURN	pK

From EMBOSS 4.0.0

Prototype

void embIepPkRead (
      double** pK
);

Type Name Read/Write Description

double** pK Output pK

void RETURN

Type	Name	Read/Write	Description
`double**`	`pK`	Output	pK
`void`		RETURN

From EMBOSS 1.0.0

Prototype

void embIepPkReadFile (
      double** pK,
      AjPFile pkfile
);

Type Name Read/Write Description

double** pK Output pK

AjPFile pkfile Output pK data file

void RETURN

Type	Name	Read/Write	Description
`double**`	`pK`	Output	pK
`AjPFile`	`pkfile`	Output	pK data file
`void`		RETURN

From EMBOSS 6.6.0

Function embIepCompC

Calculate the amino acid composition of a protein sequence

Prototype

void embIepCompC (
      const char* s,
      ajuint amino,
      ajuint carboxyl,
      ajuint sscount,
      ajuint modlysine,
      ajuint* c,
      ajuint* resn,
      ajuint* resc
);

Type Name Read/Write Description

const char* s Input protein sequence

ajuint amino Input number of amino termini

ajuint carboxyl Input number of carboxyl termini

ajuint sscount Input number of disulphide bridges

ajuint modlysine Input number of modified lysines

ajuint* c Output array of amino acid composition

ajuint* resn Output N-terminal amino acid

ajuint* resc Output C-terminal amino acid

void RETURN

Type	Name	Read/Write	Description
`const char*`	`s`	Input	protein sequence
`ajuint`	`amino`	Input	number of amino termini
`ajuint`	`carboxyl`	Input	number of carboxyl termini
`ajuint`	`sscount`	Input	number of disulphide bridges
`ajuint`	`modlysine`	Input	number of modified lysines
`ajuint*`	`c`	Output	array of amino acid composition
`ajuint*`	`resn`	Output	N-terminal amino acid
`ajuint*`	`resc`	Output	C-terminal amino acid
`void`		RETURN

From EMBOSS 4.0.0

Function embIepCompS

Calculate the amino acid composition of a protein sequence

Prototype

void embIepCompS (
      const AjPStr str,
      ajuint amino,
      ajuint carboxyl,
      ajuint sscount,
      ajuint modlysine,
      ajuint* c,
      ajuint* resn,
      ajuint* resc
);

Type Name Read/Write Description

const AjPStr str Input protein sequence

ajuint amino Input number of amino termini

ajuint carboxyl Input number of carboxyl termini

ajuint sscount Input number of disulphide bridges

ajuint modlysine Input number of modified lysines

ajuint* c Output Array of amino acid composition

ajuint* resn Output N-terminal amino acid

ajuint* resc Output C-terminal amino acid

void RETURN

Type	Name	Read/Write	Description
`const AjPStr`	`str`	Input	protein sequence
`ajuint`	`amino`	Input	number of amino termini
`ajuint`	`carboxyl`	Input	number of carboxyl termini
`ajuint`	`sscount`	Input	number of disulphide bridges
`ajuint`	`modlysine`	Input	number of modified lysines
`ajuint*`	`c`	Output	Array of amino acid composition
`ajuint*`	`resn`	Output	N-terminal amino acid
`ajuint*`	`resc`	Output	C-terminal amino acid
`void`		RETURN

From EMBOSS 4.0.0

Function embIepCalcK

Calculate the dissociation constants Amino acids for which there is no entry in Epk.dat have K set to 0.0

Prototype

void embIepCalcK (
      double* K,
      double** pK
);

Type Name Read/Write Description

double* K Output dissociation constants

double** pK Output pK values

void RETURN

Type	Name	Read/Write	Description
`double*`	`K`	Output	dissociation constants
`double**`	`pK`	Output	pK values
`void`		RETURN

From EMBOSS 1.0.0

Function embIepCalcKend

Calculate the dissociation constants for the N and C termini Amino acids for which there is no entry in Epk.dat have K set to 0.0

Prototype

void embIepCalcKend (
      double* K,
      double** pK,
      ajuint resn,
      ajuint resc
);

Type Name Read/Write Description

double* K Output dissociation constants

double** pK Output pK values

ajuint resn Input N-terminal amino acid

ajuint resc Input N-terminal amino acid

void RETURN

Type	Name	Read/Write	Description
`double*`	`K`	Output	dissociation constants
`double**`	`pK`	Output	pK values
`ajuint`	`resn`	Input	N-terminal amino acid
`ajuint`	`resc`	Input	N-terminal amino acid
`void`		RETURN

From EMBOSS 1.0.0

Function embIepGetProto

Calculate the number of H+ bound Amino acids for which there is no entry in Epk.dat have this set to 0.0

Prototype

void embIepGetProto (
      const double* K,
      const ajuint* c,
      ajuint* op,
      double H,
      double* pro
);

Type Name Read/Write Description

const double* K Input dissociation constants

const ajuint* c Input sequence composition

ajuint* op Output printout flags

double H Input hydrogen ion concentration

double* pro Output number of protons bound

void RETURN

Type	Name	Read/Write	Description
`const double*`	`K`	Input	dissociation constants
`const ajuint*`	`c`	Input	sequence composition
`ajuint*`	`op`	Output	printout flags
`double`	`H`	Input	hydrogen ion concentration
`double*`	`pro`	Output	number of protons bound
`void`		RETURN

From EMBOSS 1.0.0

Function embIepGetCharge

Calculate the number of H+ bound

Prototype

double embIepGetCharge (
      const ajuint* c,
      const double* pro,
      double* total
);

Type Name Read/Write Description

const ajuint* c Input sequence composition

const double* pro Input number of protons

double* total Output total protons

double RETURN charge

Type	Name	Read/Write	Description
`const ajuint*`	`c`	Input	sequence composition
`const double*`	`pro`	Input	number of protons
`double*`	`total`	Output	total protons
`double`		RETURN	charge

From EMBOSS 1.0.0

Function embIepPhConverge

Calculate the pH nearest the IEP or return 0.0 if one doesn't exist

Prototype

double embIepPhConverge (
      const ajuint* c,
      const double* K,
      ajuint* op,
      double* pro
);

Type Name Read/Write Description

const ajuint* c Input sequence composition

const double* K Input sequence dissociation constants

ajuint* op Output printout flags

double* pro Output number of protons

double RETURN IEP or 0.0

Type	Name	Read/Write	Description
`const ajuint*`	`c`	Input	sequence composition
`const double*`	`K`	Input	sequence dissociation constants
`ajuint*`	`op`	Output	printout flags
`double*`	`pro`	Output	number of protons
`double`		RETURN	IEP or 0.0

From EMBOSS 1.0.0

Function embIepIepC

Calculate the pH nearest the IEP.

Prototype

AjBool embIepIepC (
      const char* s,
      ajuint amino,
      ajuint carboxyl,
      ajuint sscount,
      ajuint modlysine,
      double** pK,
      double* iep,
      AjBool termini
);

Type Name Read/Write Description

const char* s Input sequence

ajuint amino Input number of N-termini

ajuint carboxyl Input number of C-termini

ajuint sscount Input number of disulphide bridges

ajuint modlysine Input number of modified lysines

double** pK Output pK values

double* iep Output IEP

AjBool termini Input use termini

AjBool RETURN True if IEP exists

Type	Name	Read/Write	Description
`const char*`	`s`	Input	sequence
`ajuint`	`amino`	Input	number of N-termini
`ajuint`	`carboxyl`	Input	number of C-termini
`ajuint`	`sscount`	Input	number of disulphide bridges
`ajuint`	`modlysine`	Input	number of modified lysines
`double**`	`pK`	Output	pK values
`double*`	`iep`	Output	IEP
`AjBool`	`termini`	Input	use termini
`AjBool`		RETURN	True if IEP exists

From EMBOSS 4.0.0

Function embIepIepS

Calculate the pH nearest the IEP.

Prototype

AjBool embIepIepS (
      const AjPStr str,
      ajuint amino,
      ajuint carboxyl,
      ajuint sscount,
      ajuint modlysine,
      double** pK,
      double* iep,
      AjBool termini
);

Type Name Read/Write Description

const AjPStr str Input sequence

ajuint amino Input number of N-termini

ajuint carboxyl Input number of C-termini

ajuint sscount Input number of disulphide bridges

ajuint modlysine Input number of modified lysines

double** pK Output pK values

double* iep Output IEP

AjBool termini Input use termini

AjBool RETURN True if IEP exists

Type	Name	Read/Write	Description
`const AjPStr`	`str`	Input	sequence
`ajuint`	`amino`	Input	number of N-termini
`ajuint`	`carboxyl`	Input	number of C-termini
`ajuint`	`sscount`	Input	number of disulphide bridges
`ajuint`	`modlysine`	Input	number of modified lysines
`double**`	`pK`	Output	pK values
`double*`	`iep`	Output	IEP
`AjBool`	`termini`	Input	use termini
`AjBool`		RETURN	True if IEP exists

From EMBOSS 4.0.0

embiep.c

Function embIepPkNew

Prototype

Function embIepPkNewFile

Prototype

Function embIepPkDel

Prototype

Function embIepPhToHconc

Prototype

Function embIepPhFromHconc

Prototype

Function embIepPkToK

Prototype

Function embIepPkFromK

Prototype

Function embIepPkRead

Prototype

Function embIepPkReadFile

Prototype

Function embIepCompC

Prototype

Function embIepCompS

Prototype

Function embIepCalcK

Prototype

Function embIepCalcKend

Prototype

Function embIepGetProto

Prototype

Function embIepGetCharge

Prototype

Function embIepPhConverge

Prototype

Function embIepIepC

Prototype

Function embIepIepS

Prototype