TorsionPotentialOptsSolis Struct Reference

#include <solis_torsion_potential.hh>

Public Member Functions
	TorsionPotentialOptsSolis ()
template<typename DS >
void	Serialize (DS &ds)

Data Fields
int	angular_bucket_size
AminoAcidAlphabet	outer_alphabet
AminoAcidAlphabet	inner_alphabet
Real	sigma

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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 39 of file solis_torsion_potential.hh.

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Constructor & Destructor Documentation

TorsionPotentialOptsSolis

(

)

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

The amino acid alphabets are empty.

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Member Function Documentation

void Serialize

(

DS &

ds

)

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Field Documentation

int angular_bucket_size

angular bucket size, 360 % angular_bucket_size must be zero

Definition at line 47 of file solis_torsion_potential.hh.

AminoAcidAlphabet inner_alphabet

alphabet of the central amino acid. The amino acid sets must be mutually exclusive

Definition at line 53 of file solis_torsion_potential.hh.

AminoAcidAlphabet outer_alphabet

alphabet of residues before and after the central amino acids in the window. The amino acids in the set must be mutually exclusive

Definition at line 50 of file solis_torsion_potential.hh.

Real sigma

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

Definition at line 55 of file solis_torsion_potential.hh.

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

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