#include <stdlib.h>
#include <stdio.h>
#include <string.h>
#include <math.h>
Include dependency graph for dsspread.h:
Go to the source code of this file.
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... |
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.
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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(). |
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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(). |