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

Package edu.duke.cs.osprey.service.services

Types

data class AboutResponse(name: String, version: String) : ResponseInfo

object AboutService : OspreyService.Provider

BondsAntechamberError

data class BondsAntechamberError(msg: String, antechamberLog: String) : ErrorInfo

data class BondsLeapError(msg: String, leapLog: String) : ErrorInfo

data class BondsRequest(pdb: String, ffname: String?)

data class BondsResponse(mol2: String) : ResponseInfo

object BondsService : OspreyService.Provider

data class ClashesError(msg: String, probeLog: String) : ErrorInfo

data class ClashesRequest(pdb: String)

ClashesResponse

data class ClashesResponse(groups: Map<String, ClashesResponse.Group>) : ResponseInfo

object ClashesService : OspreyService.Provider

ForcefieldParamsError

data class ForcefieldParamsError(msg: String, leapLog: String) : ErrorInfo

ForcefieldParamsRequest

data class ForcefieldParamsRequest(molecules: List<ForcefieldParamsRequest.MolInfo>)

ForcefieldParamsResponse

data class ForcefieldParamsResponse(params: String, coords: String) : ResponseInfo

ForcefieldParamsService

object ForcefieldParamsService : OspreyService.Provider

data class MinimizeError(msg: String, sanderLog: String) : ErrorInfo

MinimizeRequest

data class MinimizeRequest(top: String, crd: String, numCycles: Int, restraintMask: String?, restraintWeight: Double)

MinimizeResponse

data class MinimizeResponse(coords: List<Point3d>) : ResponseInfo

MinimizeService

object MinimizeService : OspreyService.Provider

MissingAtomsError

data class MissingAtomsError(msg: String, leapLog: String) : ErrorInfo

MissingAtomsRequest

data class MissingAtomsRequest(pdb: String, ffname: String)

MissingAtomsResponse

data class MissingAtomsResponse(mol2: String) : ResponseInfo

MissingAtomsService

object MissingAtomsService : OspreyService.Provider

MoleculeFFInfoError

data class MoleculeFFInfoError(msg: String, parmchkLog: String) : ErrorInfo

MoleculeFFInfoRequest

data class MoleculeFFInfoRequest(mol2: String, ffname: String)

MoleculeFFInfoResponse

data class MoleculeFFInfoResponse(ffinfo: String?) : ResponseInfo

MoleculeFFInfoService

object MoleculeFFInfoService : OspreyService.Provider

data class ProtonateError(msg: String, mol2: String, leapLog: String) : ErrorInfo

ProtonateRequest

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

ProtonateResponse

data class ProtonateResponse(mol2: String) : ResponseInfo

ProtonateService

object ProtonateService : OspreyService.Provider

ProtonationAntechamberError

data class ProtonationAntechamberError(msg: String, antechamberLog: String) : ErrorInfo

ProtonationLeapError

data class ProtonationLeapError(msg: String, leapLog: String) : ErrorInfo

ProtonationRequest

data class ProtonationRequest(pdb: String, ffname: String, atomTypes: String?)

ProtonationResponse

data class ProtonationResponse(mol2: String) : ResponseInfo

ProtonationService

object ProtonationService : OspreyService.Provider

TypesAntechamberError

data class TypesAntechamberError(msg: String, antechamberLog: String) : ErrorInfo

data class TypesLeapError(msg: String, leapLog: String) : ErrorInfo

data class TypesRequest(molSettings: TypesRequest.MoleculeSettings?, smallMolSettings: TypesRequest.SmallMoleculeSettings?)

data class TypesResponse(mol2: String) : ResponseInfo

object TypesService : OspreyService.Provider