edu.duke.cs.osprey/edu.duke.cs.osprey.service.amber/Parmchk

Parmchk

object Parmchk

Types

enum AtomTypes : Enum<Parmchk.AtomTypes>

class Exception(msg: String, mol2: String, results: Parmchk.Results) : RuntimeException

data class Results(errorCode: Int, console: List<String>, frcmod: String?)

Functions

fun run(serviceDir: Path, mol2: String, atomTypes: Parmchk.AtomTypes): Parmchk.Results