TorsionPotentialOpts Struct Reference

torsion potential options More...

#include <torsion_potential.hh>

Public Member Functions
	TorsionPotentialOpts ()
template<typename DS >
void	Serialize (DS &ds)
Data Fields
int	prev_angular_bucket_size
int	central_angular_bucket_size
int	next_angular_bucket_size
AminoAcidAlphabet	alphabet
Real	sigma

---

Detailed Description

torsion potential options

These options may be used to configure the different torsion potentials based on a sliding window of 3 amino acids.

Definition at line 44 of file torsion_potential.hh.

---

Constructor & Destructor Documentation

TorsionPotentialOpts

(

)

initialize torsion potential with angular bucket size of 30 and sigma of 0.02

The amino acid alphabets are empty.

---

Member Function Documentation

void Serialize

(

DS &

ds

)

[inline]

---

Field Documentation

AminoAcidAlphabet alphabet

alphabet of the central. The amino acids in the set must be mutually excl.

Definition at line 56 of file torsion_potential.hh.

int central_angular_bucket_size

Definition at line 53 of file torsion_potential.hh.

int next_angular_bucket_size

Definition at line 54 of file torsion_potential.hh.

int prev_angular_bucket_size

angular bucket size, 360 % angular_bucket_size must be zero

Definition at line 52 of file torsion_potential.hh.

Real sigma

weighting factor after (Sippl et al., 1990), usually 0.02

Definition at line 58 of file torsion_potential.hh.

---

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

• stage/include/ost/qa/torsion_potential.hh