OptimizeBFactorScale 1.0
OptimizeFormFactorScale false
Phase false
PrintOutput false
RemoveUnknownAtoms false
RemoveWaters false
ReplicaExchange true
RigidBodyOptimization false
RotateTranslate false
UseExpLookUp yes
UseFastTranslationRotation yes
UseFastTranslation yes
CubeFile 
DegOfFreedomFile
DensityOutput  
PdbFile 
TranslationRotationMethod RFactor
XRayInput _RUN_DIR_/1CXA_NoDups_661352/r1CXAsf.cif
XRayOutput _RUN_DIR_/1CXA_NoDups_661352/r1CXAsf_output.cif
XRayScoreType DiffOfSquares
NumCycles 300000
NumReplicas 300
StepsPerCycle 20
ContinuousHValues 100
ContinuousKValues 100
ContinuousLValues 100
MRIterations 1
RandomSeed 823
XCubes 5
YCubes 5
ZCubes 5
BFactorScale 1.0
BulkDensity 0.334
CubeSize 0.5
ExcludedVolumeRadii Params
ExcludedVolumeRadiusHydrogen 0.902255
ExcludedVolumeRadiusCarbon 1.6021816
ExcludedVolumeRadiusNitrogen 1.238037
ExcludedVolumeRadiusOxygen 1.635977
ExcludedVolumeRadiusSulfur 2.321319
scale 1.00
MinTemp 1e+06
MaxTemp 1e+10
MaxQx 3.0
MaxQy 3.0
MaxQz 3.0
XCubeLength 7.514
YCubeLength 7.7452
ZCubeLength 29.084
FilterOutHighResolution true
UseMillerIndexesFromExperiment true
ReplicaStructuresOutput _RUN_DIR_/1CXA_NoDups_661352/replica/replica
ClashScoreUse AtEnd
ClashWeightCoreCore 4.4537
ClashWeightCoreSurface 0.46783
ClashWeightSurfaceSurface 0.042477
MaxReplicaExchangeTime 2.0
DiffOfSquaresWeight 1.0
PearsonWeight 0.77933
RFactorWeight 1.5487
RotationWeight 0.0
MinimizeRotationTranslation EstimatedGradient
MaxTempFrac 0.1
MinAngleChange 0.02
MaxAngleChange 0.12
MinTranslationFraction 0.01
MaxTranslationFraction 0.5
PdbPathsFile _PATHS_
LogFiles _LOG_
FastTranslationRotationInterpolation Linear
ShuffleDegreesOfFreedom yes
ShuffleInterval 250
EndIfConverged yes
ProductWeight 0.0
CorrectionFile _BASE_DIR_/AverageCorrection.txt
MinTempFrac 0.005
a 64.3
b 64.3
c 163.4
alpha 90
beta 90
gamma 120
SpaceGroup P6122
NumQxValues 15
NumQyValues 15
NumQzValues 15
MaxReplicaExchangeClashTime 2.0
MaxReplicaExchangeOptimizeOccupancyTime 2.0
ContinuationFile _CONTINUATION_FILE_
SegmentsFile _RUN_DIR_/1CXA_NoDups_661352/GuessedBadSegments.txt
ScoreFileBase _RUN_DIR_/1CXA_NoDups_661352/ScoreFile.txt
MaxReplicaExchangeTime 1
MaxReplicaExchangeClashTime 1
MaxReplicaExchangeOptimizeOccupancyTime 2
NumReplicas 300
NumQxValues 13
NumQyValues 13
NumQzValues 33
BulkDensity 0.334
ClashWeightCoreCore 4.4537
ClashWeightCoreSurface 0.46783
ClashWeightSurfaceSurface 0.042477
DiffOfSquaresWeight 1.0
PearsonWeight 0.77933
RFactorWeight 1.5487
ProductWeight 0
MinTempFrac 0.005
MaxTempFrac 0.1
ContinuousHValues 100
ContinuousKValues 100
ContinuousLValues 100
NumCopies 1