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

Sander

object Sander

Types

class Exception(msg: String, console: Collection<String>) : RuntimeException

data class Results(exitCode: Int, console: List<String>, coords: List<Point3d>?)

Functions

fun run(serviceDir: Path, top: String, crd: String, commands: String): Sander.Results

sanitizeRestraintMask

fun sanitizeRestraintMask(mask: String): String

Properties

maxCommandLineSize

const val maxCommandLineSize: Int = 65664

maxRestraintMaskSize

const val maxRestraintMaskSize: Int = 65536