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dsspread.h File Reference

DSSP reader routine. More...

#include <stdlib.h>
#include <stdio.h>
#include <string.h>
#include <math.h>

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Compounds

struct  Hbondrec_
 Hbondrec_ : stores the offset and energy for main-chain H-bonds. More...

struct  Dssprec_
 Dssprec_ : this struct stores the DSSP entry for a given residue. More...


Functions

Dssprec_dssp_read (const char *Dsspfnm, unsigned int *Size, unsigned int *Chainno)
 dssp_read(Dsspfnm, Size, Chainno): reads the text file Dsspfnm produced by DSSP, Version Oct. More...

double dssp_cadist (const Dssprec_ *Dp1, const Dssprec_ *Dp2)
 dssp_cadist(Dp1, Dp2): returns the CA:CA distance between two DSSP records pointed to by Dp1 and Dp2. More...


Detailed Description

DSSP reader routine.

Reads the text file Dsspfnm produced by DSSP, Version Oct. 1988 (ref: W. Kabsch, C. Sander, Biopolymers 22:2577-2637 (1983)).

Definition in file dsspread.h.


Function Documentation

Dssprec_ * dssp_read ( const char * Dsspfnm,
unsigned int * Size,
unsigned int * Chainno )
 

dssp_read(Dsspfnm, Size, Chainno): reads the text file Dsspfnm produced by DSSP, Version Oct.

1988 (ref: W. Kabsch, C. Sander, Biopolymers 22:2577-2637 (1983)). Returns an array of size Size, containing chain ID, residue no, 1-letter AA code, Kabsch/Sander secondary structure code and solvent accessibility for each residue or NULL on error. Sets the number of chains to Chainno.

Referenced by Dssprec_::Ca().

double dssp_cadist ( const Dssprec_ * Dp1,
const Dssprec_ * Dp2 )
 

dssp_cadist(Dp1, Dp2): returns the CA:CA distance between two DSSP records pointed to by Dp1 and Dp2.

Checks if they're NULL.

Referenced by Dssprec_::Ca().


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