#include <gromacs/gmxana/hxprops.h>

Description

Struct containing properties of a residue in a protein backbone.

Public Attributes
real	phi
	Protein backbone phi angle.

real	psi
	Protein backbone psi angle.

real	pprms2
	RMS distance of phi and psi angles from ideal helix.

real	jcaha
	Estimated J-coupling value.

real	d3
	Value of 3 turn helix?

real	d4
	Value of 4 turn helix?

real	d5
	Value of 5 turn?

real	rmsa
	Average of RMS for analysis.

gmx_bool	bHelix
	If the structure is helical.

int	nhx
	Number of elliptical elements.

int	nrms
	Average RMS Deviation when atoms of this residue are fitted to ideal helix.

int	resno
	Residue index for output, relative to gmx_helix -r0 value.

int	Cprev
	Index for previous carbon.

int	N
	Index for backbone nitrogen.

int	H
	Index for backbone NH hydrogen.

int	CA
	Index for alpha carbon.

int	C
	Index for carbonyl carbon.

int	O
	Index for carbonyl oxygen.

int	Nnext
	Index for next backbone nitrogen.

char	label [32]
	Name for this residue.

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

Public Attributes