embiep.c
Create a pK array and read the data
Synopsis
Prototype
double* embIeppKNew (
void
);
| Type | Name | Read/Write | Description |
|---|
| double* | | RETURN | pK data |
Returns
Description
Create a pK array and read the data
Usage
See source code
Example
In preparation
Errors
See source code
Dependencies
See source code
See Also
See other functions in this section
Availability
In release 6.4.0
Delete a pK array and read the data
Synopsis
Prototype
void embIeppKDel (
double* pK
);
| Type | Name | Read/Write | Description |
|---|
| double* | pK | Output | pKs |
| void | | RETURN | |
Output
Returns
Description
Delete a pK array and read the data
Usage
See source code
Example
In preparation
Errors
See source code
Dependencies
See source code
See Also
See other functions in this section
Availability
In release 6.4.0
Convert pH to hydrogen ion concontration
Synopsis
Prototype
double embIepPhToHconc (
double pH
);
| Type | Name | Read/Write | Description |
|---|
| double | pH | Input | pH |
| double | | RETURN | hydrogen ion concentrration |
Input
Returns
| double: | hydrogen ion concentrration |
Description
Convert pH to hydrogen ion concontration
Usage
See source code
Example
In preparation
Errors
See source code
Dependencies
See source code
See Also
See other functions in this section
Availability
In release 6.4.0
Convert hydrogen ion concontration to pH
Synopsis
Prototype
double embIepPhFromHconc (
double H
);
| Type | Name | Read/Write | Description |
|---|
| double | H | Input | H |
| double | | RETURN | pH |
Input
Returns
Description
Convert hydrogen ion concontration to pH
Usage
See source code
Example
In preparation
Errors
See source code
Dependencies
See source code
See Also
See other functions in this section
Availability
In release 6.4.0
Convert pK to dissociation constant
Synopsis
Prototype
double embIepPkToK (
double pK
);
| Type | Name | Read/Write | Description |
|---|
| double | pK | Input | pK |
| double | | RETURN | dissociation constant |
Input
Returns
| double: | dissociation constant |
Description
Convert pK to dissociation constant
Usage
See source code
Example
In preparation
Errors
See source code
Dependencies
See source code
See Also
See other functions in this section
Availability
In release 6.4.0
Convert dissociation constant to pK
Synopsis
Prototype
double embIepPkFromK (
double K
);
| Type | Name | Read/Write | Description |
|---|
| double | K | Input | K |
| double | | RETURN | pK |
Input
Returns
Description
Convert dissociation constant to pK
Usage
See source code
Example
In preparation
Errors
See source code
Dependencies
See source code
See Also
See other functions in this section
Availability
In release 6.4.0
Read the pK values from Epk.dat
Synopsis
Prototype
void embIepPkRead (
double* pK
);
| Type | Name | Read/Write | Description |
|---|
| double* | pK | Output | pK |
| void | | RETURN | |
Output
Returns
Description
Read the pK values from Epk.dat
Usage
See source code
Example
In preparation
Errors
See source code
Dependencies
See source code
See Also
See other functions in this section
Availability
In release 6.4.0
Calculate the amino acid composition of a protein sequence
Synopsis
Prototype
void embIepCompC (
const char* s,
ajint amino,
ajint carboxyl,
ajint sscount,
ajint modlysine,
ajint* c
);
| Type | Name | Read/Write | Description |
|---|
| const char* | s | Input | protein sequence |
| ajint | amino | Input | number of amino termini |
| ajint | carboxyl | Input | number of carboxyl termini |
| ajint | sscount | Input | number of disulphide bridges |
| ajint | modlysine | Input | number of modified lysines |
| ajint* | c | Output | amino acid composition |
| void | | RETURN | |
Input
| s: | (Input) | protein sequence |
| amino: | (Input) | number of amino termini |
| carboxyl: | (Input) | number of carboxyl termini |
| sscount: | (Input) | number of disulphide bridges |
| modlysine: | (Input) | number of modified lysines |
Output
| c: | (Output) | amino acid composition |
Returns
Description
Calculate the amino acid composition of a protein sequence
Usage
See source code
Example
In preparation
Errors
See source code
Dependencies
See source code
See Also
See other functions in this section
Availability
In release 6.4.0
Calculate the amino acid composition of a protein sequence
Synopsis
Prototype
void embIepCompS (
const AjPStr str,
ajint amino,
ajint carboxyl,
ajint sscount,
ajint modlysine,
ajint* c
);
| Type | Name | Read/Write | Description |
|---|
| const AjPStr | str | Input | protein sequence |
| ajint | amino | Input | number of amino termini |
| ajint | carboxyl | Input | number of carboxyl termini |
| ajint | sscount | Input | number of disulphide bridges |
| ajint | modlysine | Input | number of modified lysines |
| ajint* | c | Output | amino acid composition |
| void | | RETURN | |
Input
| str: | (Input) | protein sequence |
| amino: | (Input) | number of amino termini |
| carboxyl: | (Input) | number of carboxyl termini |
| sscount: | (Input) | number of disulphide bridges |
| modlysine: | (Input) | number of modified lysines |
Output
| c: | (Output) | amino acid composition |
Returns
Description
Calculate the amino acid composition of a protein sequence
Usage
See source code
Example
In preparation
Errors
See source code
Dependencies
See source code
See Also
See other functions in this section
Availability
In release 6.4.0
Calculate the dissociation constants
Amino acids for which there is no entry in Epk.dat have K set to 0.0
Synopsis
Prototype
void embIepCalcK (
double* K,
double* pK
);
| Type | Name | Read/Write | Description |
|---|
| double* | K | Output | dissociation constants |
| double* | pK | Output | pK values |
| void | | RETURN | |
Output
| K: | (Output) | dissociation constants |
| pK: | (Output) | pK values |
Returns
Description
Calculate the dissociation constants
Amino acids for which there is no entry in Epk.dat have K set to 0.0
Usage
See source code
Example
In preparation
Errors
See source code
Dependencies
See source code
See Also
See other functions in this section
Availability
In release 6.4.0
Calculate the number of H+ bound
Amino acids for which there is no entry in Epk.dat have this set to 0.0
Synopsis
Prototype
void embIepGetProto (
const double* K,
const ajint* c,
ajint* op,
double H,
double* pro
);
| Type | Name | Read/Write | Description |
|---|
| const double* | K | Input | dissociation constants |
| const ajint* | c | Input | sequence composition |
| ajint* | op | Output | printout flags |
| double | H | Input | hydrogen ion concentration |
| double* | pro | Output | number of protons bound |
| void | | RETURN | |
Input
| K: | (Input) | dissociation constants |
| c: | (Input) | sequence composition |
| H: | (Input) | hydrogen ion concentration |
Output
| op: | (Output) | printout flags |
| pro: | (Output) | number of protons bound |
Returns
Description
Calculate the number of H+ bound
Amino acids for which there is no entry in Epk.dat have this set to 0.0
Usage
See source code
Example
In preparation
Errors
See source code
Dependencies
See source code
See Also
See other functions in this section
Availability
In release 6.4.0
Calculate the number of H+ bound
Synopsis
Prototype
double embIepGetCharge (
const ajint* c,
const double* pro,
double* total
);
| Type | Name | Read/Write | Description |
|---|
| const ajint* | c | Input | sequence composition |
| const double* | pro | Input | number of protons |
| double* | total | Output | total protons |
| double | | RETURN | charge |
Input
| c: | (Input) | sequence composition |
| pro: | (Input) | number of protons |
Output
| total: | (Output) | total protons |
Returns
Description
Calculate the number of H+ bound
Usage
See source code
Example
In preparation
Errors
See source code
Dependencies
See source code
See Also
See other functions in this section
Availability
In release 6.4.0
Calculate the pH nearest the IEP or return 0.0 if one doesn't exist
Synopsis
Prototype
double embIepPhConverge (
const ajint* c,
const double* K,
ajint* op,
double* pro
);
| Type | Name | Read/Write | Description |
|---|
| const ajint* | c | Input | sequence composition |
| const double* | K | Input | sequence dissociation constants |
| ajint* | op | Output | printout flags |
| double* | pro | Output | number of protons |
| double | | RETURN | IEP or 0.0 |
Input
| c: | (Input) | sequence composition |
| K: | (Input) | sequence dissociation constants |
Output
| op: | (Output) | printout flags |
| pro: | (Output) | number of protons |
Returns
Description
Calculate the pH nearest the IEP or return 0.0 if one doesn't exist
Usage
See source code
Example
In preparation
Errors
See source code
Dependencies
See source code
See Also
See other functions in this section
Availability
In release 6.4.0
Calculate the pH nearest the IEP.
Synopsis
Prototype
AjBool embIepIepC (
const char* s,
ajint amino,
ajint carboxyl,
ajint sscount,
ajint modlysine,
double* pK,
double* iep,
AjBool termini
);
| Type | Name | Read/Write | Description |
|---|
| const char* | s | Input | sequence |
| ajint | amino | Input | number of N-termini |
| ajint | carboxyl | Input | number of C-termini |
| ajint | sscount | Input | number of disulphide bridges |
| ajint | 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 |
Input
| s: | (Input) | sequence |
| amino: | (Input) | number of N-termini |
| carboxyl: | (Input) | number of C-termini |
| sscount: | (Input) | number of disulphide bridges |
| modlysine: | (Input) | number of modified lysines |
| termini: | (Input) | use termini |
Output
| pK: | (Output) | pK values |
| iep: | (Output) | IEP |
Returns
| AjBool: | True if IEP exists |
Description
Calculate the pH nearest the IEP.
Usage
See source code
Example
In preparation
Errors
See source code
Dependencies
See source code
See Also
See other functions in this section
Availability
In release 6.4.0
Calculate the pH nearest the IEP.
Synopsis
Prototype
AjBool embIepIepS (
const AjPStr str,
ajint amino,
ajint carboxyl,
ajint sscount,
ajint modlysine,
double* pK,
double* iep,
AjBool termini
);
| Type | Name | Read/Write | Description |
|---|
| const AjPStr | str | Input | sequence |
| ajint | amino | Input | number of N-termini |
| ajint | carboxyl | Input | number of C-termini |
| ajint | sscount | Input | number of disulphide bridges |
| ajint | 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 |
Input
| str: | (Input) | sequence |
| amino: | (Input) | number of N-termini |
| carboxyl: | (Input) | number of C-termini |
| sscount: | (Input) | number of disulphide bridges |
| modlysine: | (Input) | number of modified lysines |
| termini: | (Input) | use termini |
Output
| pK: | (Output) | pK values |
| iep: | (Output) | IEP |
Returns
| AjBool: | True if IEP exists |
Description
Calculate the pH nearest the IEP.
Usage
See source code
Example
In preparation
Errors
See source code
Dependencies
See source code
See Also
See other functions in this section
Availability
In release 6.4.0