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Dssprec_ Struct Reference

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

#include <dsspread.h>

Collaboration diagram for Dssprec_:

[legend]List of all members.

Public Attributes
int	Resno
	residue no.
char	Chain
	chain identifier , <SPACE> if 1 chain only.
char	Res
	AA code, 1-letter.
char	Disulf
	S-S bond code or ' ' (Res set to 'C' for these).
char	Secstruct
	secondary structure code, see ref.
char	Turns3
char	Turns4
char	Turns5
	helix turn labels.
char	Bend
	geometrical bend.
char	Chir
	chirality: '+' or '-'.
char	Bridge1
char	Bridge2
	beta labels: CAPS if antiparallel, lowercase if parallel.
int	Beta1
int	Beta2
	partner resnums in beta-bridges.
char	Sheet
	beta-sheet label (always caps).
int	Access
	solvent accessibility, see ref.
Hbondrec_	Nho [2]
Hbondrec_	Ohn [2]
	H-bonds NH(i)->O and O(i)->NH.
double	Tco
	CO(i):CO(i-1) torsion cosine.
double	Kappa
	CA(i-2):CA(i):CA(i+2) angle.
double	Alpha
	C-alpha dihedral angle (360 if n/a).
double	Phi
double	Psi
	Ramachandran angles.
double	Ca [3]
	C-alpha coordinates.

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Detailed Description

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

Definition at line 40 of file dsspread.h.

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Member Data Documentation

int Dssprec_::Resno

residue no. Definition at line 42 of file dsspread.h.

char Dssprec_::Chain

chain identifier , <SPACE> if 1 chain only. Definition at line 43 of file dsspread.h.

char Dssprec_::Res

AA code, 1-letter. Definition at line 44 of file dsspread.h.

char Dssprec_::Disulf

S-S bond code or ' ' (Res set to 'C' for these). Definition at line 45 of file dsspread.h.

char Dssprec_::Secstruct

secondary structure code, see ref. Definition at line 46 of file dsspread.h.

char Dssprec_::Turns3

Definition at line 47 of file dsspread.h.

char Dssprec_::Turns4

Definition at line 47 of file dsspread.h.

char Dssprec_::Turns5

helix turn labels. Definition at line 47 of file dsspread.h.

char Dssprec_::Bend

geometrical bend. Definition at line 48 of file dsspread.h.

char Dssprec_::Chir

chirality: '+' or '-'. Definition at line 49 of file dsspread.h.

char Dssprec_::Bridge1

Definition at line 50 of file dsspread.h.

char Dssprec_::Bridge2

beta labels: CAPS if antiparallel, lowercase if parallel. Definition at line 50 of file dsspread.h.

int Dssprec_::Beta1

Definition at line 51 of file dsspread.h.

int Dssprec_::Beta2

partner resnums in beta-bridges. Definition at line 51 of file dsspread.h.

char Dssprec_::Sheet

beta-sheet label (always caps). Definition at line 52 of file dsspread.h.

int Dssprec_::Access

solvent accessibility, see ref. Definition at line 53 of file dsspread.h.

Hbondrec_ Dssprec_::Nho[2]

Definition at line 54 of file dsspread.h.

Hbondrec_ Dssprec_::Ohn

H-bonds NH(i)->O and O(i)->NH. Definition at line 54 of file dsspread.h.

double Dssprec_::Tco

CO(i):CO(i-1) torsion cosine. Definition at line 55 of file dsspread.h.

double Dssprec_::Kappa

CA(i-2):CA(i):CA(i+2) angle. Definition at line 56 of file dsspread.h.

double Dssprec_::Alpha

C-alpha dihedral angle (360 if n/a). Definition at line 57 of file dsspread.h.

double Dssprec_::Phi

Definition at line 58 of file dsspread.h.

double Dssprec_::Psi

Ramachandran angles. Definition at line 58 of file dsspread.h.

double Dssprec_::Ca

C-alpha coordinates. Definition at line 59 of file dsspread.h.

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The documentation for this struct was generated from the following file:

• dsspread.h

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