edu.duke.cs.osprey/edu.duke.cs.osprey.service.services/ProtonateRequest

ProtonateRequest

data class ProtonateRequest(mol2: String, atomName: String, atomType: String, bonds: List<ProtonateRequest.Bond>, hydrogens: List<ProtonateRequest.Hydrogen>)

Types

data class Bond(atomName: String, atomType: String, bondType: String)

data class Hydrogen(atomName: String, atomType: String)

Properties

val atomName: String

val atomType: String

val bonds: List<ProtonateRequest.Bond>

val hydrogens: List<ProtonateRequest.Hydrogen>

val mol2: String