edu.duke.cs.osprey/edu.duke.cs.osprey.gui.motions/TranslationRotation/MolDescription

MolDescription

data class MolDescription(mol: Molecule, maxTranslationDist: Double, maxRotationDegrees: Double) : MolMotion.Description

Functions

open override fun copyTo(mol: Molecule, atomMap: AtomMap): TranslationRotation.MolDescription

getAffectedAtoms

open override fun getAffectedAtoms(): Molecule.Atoms

Returns atoms whose positions are modified by the motion.

open override fun make(): TranslationRotation

Properties

maxRotationDegrees

val maxRotationDegrees: Double

maxTranslationDist

val maxTranslationDist: Double

open override val mol: Molecule