edu.duke.cs.osprey/edu.duke.cs.osprey.gui.motions/DihedralAngle

DihedralAngle

class DihedralAngle(mol: Molecule, a: Atom, b: Atom, c: Atom, d: Atom) : ConfMotion, MolMotion

Types

object Companion

ConfDescription

class ConfDescription(pos: DesignPosition, motion: ConfLib.ContinuousMotion.DihedralAngle, minDegrees: Double, maxDegrees: Double) : ConfMotion.Description

LibrarySettings

data class LibrarySettings(radiusDegrees: Double, includeHydroxyls: Boolean, includeNonHydroxylHGroups: Boolean)

class MolDescription(mol: Molecule, a: Atom, b: Atom, c: Atom, d: Atom, minDegrees: Double, maxDegrees: Double) : MolMotion.Description

Functions

fun measureDegrees(): Double

Returns the dihedral angle in degrees in the interval (-180,180]

fun measureRadians(): Double

Returns the dihedral angle in radians in the interval (-pi,pi]

fun setDegrees(degrees: Double)

fun setRadians(radians: Double)

Properties

val a: Atom

val b: Atom

val c: Atom

val d: Atom

val mol: Molecule

val rotatedAtoms: List<Atom>