Sails::TorsionSet
struct Sails::TorsionSet
Structure representing a set of three torsion angles important for representing a glycosidic linkage.
@constructor TorsionSet
Parameters
psiThe psi angle.phiThe phi angle.omegaThe omega angle.
Summary
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Members
publicAnglepsi
publicAnglephi
publicAngleomega
public inlineTorsionSet(constAngle& psi, constAngle& phi, constAngle& omega)
public inline std::vector< double >get_means_in_order()
public inline std::vector< double >get_stddev_in_order()
Last modified: 23 November 2024