edu.duke.cs.osprey/edu.duke.cs.osprey.gui.prep/DesignPosition/AnchorMatch

AnchorMatch

data class AnchorMatch(posAnchors: List<Anchor>, fragAnchors: List<ConfLib.Anchor>)

Functions

fun copyToMol(mol: Molecule, atomMap: AtomMap): DesignPosition.AnchorMatch

fun findPosAnchor(fragAnchor: ConfLib.Anchor): Anchor?

fun resolveElement(p: ConfLib.AtomPointer): Element?

get the element from an atom pointer

resolveElementOrThrow

fun resolveElementOrThrow(p: ConfLib.AtomPointer): Element

fun resolveName(p: ConfLib.AtomPointer): String?

get the name from an atom pointer

resolveNameOrThrow

fun resolveNameOrThrow(p: ConfLib.AtomPointer): String

Properties

val fragAnchors: List<ConfLib.Anchor>

val pairs: List<Pair<Anchor, ConfLib.Anchor>>

val posAnchors: List<Anchor>