embiep.c

Function embIepPhToHconc

Convert pH to hydrogen ion concontration

Synopsis

Prototype

double embIepPhToHconc (
      double pH
);

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 3.0.0

Function embIepPhFromHconc

Convert hydrogen ion concontration to pH

Synopsis

Prototype

double embIepPhFromHconc (
      double H
);

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 3.0.0

Function embIepPkToK

Convert pK to dissociation constant

Synopsis

Prototype

double embIepPkToK (
      double pK
);

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 3.0.0

Function embIepPkFromK

Convert dissociation constant to pK

Synopsis

Prototype

double embIepPkFromK (
      double K
);

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 3.0.0

Function embIepPkRead

Read the pK values from Epk.dat

Synopsis

Prototype

void embIepPkRead (
      void
);

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 3.0.0

Function embIepCompC

Calculate the amino acid composition of a protein sequence

Synopsis

Prototype

void embIepCompC (
      const char* s,
      ajint amino,
      ajint sscount,
      ajint modlysine,
      ajint* c
);

Input

s:(Input)protein sequence
amino:(Input)number of amino 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 3.0.0

Function embIepCompS

Calculate the amino acid composition of a protein sequence

Synopsis

Prototype

void embIepCompS (
      const AjPStr str,
      ajint amino,
      ajint sscount,
      ajint modlysine,
      ajint* c
);

Input

str:(Input)protein sequence
amino:(Input)number of amino 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 3.0.0

Function embIepCalcK

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

Synopsis

Prototype

void embIepCalcK (
      double* K
);

Output

K:(Output)dissociation constants

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 3.0.0

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

Synopsis

Prototype

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

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 3.0.0

Function embIepGetCharge

Calculate the number of H+ bound

Synopsis

Prototype

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

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 3.0.0

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
);

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 3.0.0

Function embIepIepC

Calculate the pH nearest the IEP.

Synopsis

Prototype

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

Input

s:(Input)sequence
amino:(Input)number of N-termini
sscount:(Input)number of disulphide bridges
modlysine:(Input)number of modified lysines
termini:(Input)use termini

Output

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 3.0.0

Function embIepIepS

Calculate the pH nearest the IEP.

Synopsis

Prototype

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

Input

str:(Input)sequence
amino:(Input)number of N-termini
sscount:(Input)number of disulphide bridges
modlysine:(Input)number of modified lysines
termini:(Input)use termini

Output

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 3.0.0