embiep.c


Function embIeppKNew

Create a pK array and read the data

Synopsis

Prototype
double* embIeppKNew (
      void
);

TypeNameRead/WriteDescription
double* RETURNpK data

Returns
double*:pK data

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

Function embIeppKDel

Delete a pK array and read the data

Synopsis

Prototype
void embIeppKDel (
      double* pK
);

TypeNameRead/WriteDescription
double*pKOutputpKs
void RETURN

Output
pK:(Output)pKs
Returns
void:No return value

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

Function embIepPhToHconc

Convert pH to hydrogen ion concontration

Synopsis

Prototype
double embIepPhToHconc (
      double pH
);

TypeNameRead/WriteDescription
doublepHInputpH
double RETURNhydrogen ion concentrration

Input
pH:(Input)pH
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

Function embIepPhFromHconc

Convert hydrogen ion concontration to pH

Synopsis

Prototype
double embIepPhFromHconc (
      double H
);

TypeNameRead/WriteDescription
doubleHInputH
double RETURNpH

Input
H:(Input)H
Returns
double:pH

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

Function embIepPkToK

Convert pK to dissociation constant

Synopsis

Prototype
double embIepPkToK (
      double pK
);

TypeNameRead/WriteDescription
doublepKInputpK
double RETURNdissociation constant

Input
pK:(Input)pK
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

Function embIepPkFromK

Convert dissociation constant to pK

Synopsis

Prototype
double embIepPkFromK (
      double K
);

TypeNameRead/WriteDescription
doubleKInputK
double RETURNpK

Input
K:(Input)K
Returns
double:pK

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

Function embIepPkRead

Read the pK values from Epk.dat

Synopsis

Prototype
void embIepPkRead (
      double* pK
);

TypeNameRead/WriteDescription
double*pKOutputpK
void RETURN

Output
pK:(Output)pK
Returns
void:No return value

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

Function embIepCompC

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
);

TypeNameRead/WriteDescription
const char*sInputprotein sequence
ajintaminoInputnumber of amino termini
ajintcarboxylInputnumber of carboxyl termini
ajintsscountInputnumber of disulphide bridges
ajintmodlysineInputnumber of modified lysines
ajint*cOutputamino 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
void:No return value

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

Function embIepCompS

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
);

TypeNameRead/WriteDescription
const AjPStrstrInputprotein sequence
ajintaminoInputnumber of amino termini
ajintcarboxylInputnumber of carboxyl termini
ajintsscountInputnumber of disulphide bridges
ajintmodlysineInputnumber of modified lysines
ajint*cOutputamino 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
void:No return value

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

Function embIepCalcK

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
);

TypeNameRead/WriteDescription
double*KOutputdissociation constants
double*pKOutputpK values
void RETURN

Output
K:(Output)dissociation constants
pK:(Output)pK values
Returns
void:No return value

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

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

Synopsis

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

TypeNameRead/WriteDescription
const double*KInputdissociation constants
const ajint*cInputsequence composition
ajint*opOutputprintout flags
doubleHInputhydrogen ion concentration
double*proOutputnumber 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
void:No return value

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

Function embIepGetCharge

Calculate the number of H+ bound

Synopsis

Prototype
double embIepGetCharge (
      const ajint* c,
      const double* pro,
      double* total
);

TypeNameRead/WriteDescription
const ajint*cInputsequence composition
const double*proInputnumber of protons
double*totalOutputtotal protons
double RETURNcharge

Input
c:(Input)sequence composition
pro:(Input)number of protons
Output
total:(Output)total protons
Returns
double:charge

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

Function embIepPhConverge

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
);

TypeNameRead/WriteDescription
const ajint*cInputsequence composition
const double*KInputsequence dissociation constants
ajint*opOutputprintout flags
double*proOutputnumber of protons
double RETURNIEP or 0.0

Input
c:(Input)sequence composition
K:(Input)sequence dissociation constants
Output
op:(Output)printout flags
pro:(Output)number of protons
Returns
double:IEP or 0.0

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

Function embIepIepC

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
);

TypeNameRead/WriteDescription
const char*sInputsequence
ajintaminoInputnumber of N-termini
ajintcarboxylInputnumber of C-termini
ajintsscountInputnumber of disulphide bridges
ajintmodlysineInputnumber of modified lysines
double*pKOutputpK values
double*iepOutputIEP
AjBoolterminiInputuse termini
AjBool RETURNTrue 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

Function embIepIepS

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
);

TypeNameRead/WriteDescription
const AjPStrstrInputsequence
ajintaminoInputnumber of N-termini
ajintcarboxylInputnumber of C-termini
ajintsscountInputnumber of disulphide bridges
ajintmodlysineInputnumber of modified lysines
double*pKOutputpK values
double*iepOutputIEP
AjBoolterminiInputuse termini
AjBool RETURNTrue 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