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t_bb Struct Reference

#include <gromacs/gmxana/hxprops.h>


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: