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 45 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.

void Serialize ( DS & ds )

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

Definition at line 57 of file torsion_potential.hh.

int central_angular_bucket_size

Definition at line 54 of file torsion_potential.hh.

int next_angular_bucket_size

Definition at line 55 of file torsion_potential.hh.

int prev_angular_bucket_size

angular bucket size, 360 % angular_bucket_size must be zero

Definition at line 53 of file torsion_potential.hh.

Real sigma

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

Definition at line 59 of file torsion_potential.hh.

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