##############################################################################
##############################################################################
##############################################################################
#
# JOELib2 properties
#
# \ slashes should be written as \\
# spaces can be written as \ \, but white spaces are removed at the end of
# lines !!!
# Please use the Unicode expression \u0020 to encode white spaces !!!
#
##############################################################################
#
# Version:  $Revision: 1.15 $
#           $Date: 2006/07/24 22:29:15 $
#           $Author: wegner $
#
##############################################################################
# Copyright OELIB:          OpenEye Scientific Software, Santa Fe,
#                           U.S.A., 1999,2000,2001
# Copyright JOELIB/JOELib2: Dept. Computer Architecture, University of
#                           Tuebingen, Germany, 2001,2002,2003,2004,2005
# Copyright JOELIB/JOELib2: ALTANA PHARMA AG, Konstanz, Germany,
#                           2003,2004,2005
#
# This program is free software; you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation version 2 of the License.
#
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
# GNU General Public License for more details.
##############################################################################
##############################################################################

##############################################################################
# resource locations of data files
##############################################################################
joelib2.data.BasicHybridisationTyper.resourceFile=joelib2/data/plain/hybridisation.txt
joelib2.data.BasicAromaticityTyper.resourceFile=joelib2/data/plain/aromatic.txt
joelib2.data.BasicAromaticityTyper.useAromaticityModel=true
joelib2.data.BasicImplicitValenceTyper.resourceFile=joelib2/data/plain/implicitValence.txt
joelib2.data.BasicAtomTyper.resourceFile=joelib2/data/plain/atomtype.txt
joelib2.data.BasicElementHolder.resourceFile=joelib2/data/plain/element.txt
joelib2.data.BasicIsotopeHolder.resourceFile=joelib2/data/plain/isotope.txt
joelib2.data.BasicProtonationModel.resourceFile=joelib2/data/plain/phmodel.txt

joelib2.data.BasicGroupContributionHolder.resourceDir=joelib2/data/plain
joelib2.data.BasicGroupContributionHolder.contributionExtension=.contributions
joelib2.data.BasicGroupContributionHolder.models=LogP MR PSA

joelib2.feature.ResultFactory.resourceFile=joelib2/data/plain/knownResults.txt
joelib2.process.types.DescriptorStatistic.descriptors2ignore=joelib2/data/plain/desc2ignore.txt
joelib2.process.types.DescriptorBinning.descriptors2ignore=joelib2/data/plain/desc2ignore.txt

##############################################################################
# Database
##############################################################################
wsi.ra.database.DatabaseConnection.location=jdbc:mysql://localhost/test
wsi.ra.database.DatabaseConnection.password=
wsi.ra.database.DatabaseConnection.username=
wsi.ra.database.DatabaseConnection.driver=org.gjt.mm.mysql.Driver

##############################################################################
# 2D rendering options
##############################################################################
joelib2.gui.render2D.Renderer2DModel.bond.length=30.0
joelib2.gui.render2D.Renderer2DModel.bond.distance=6.0
joelib2.gui.render2D.Renderer2DModel.bond.width=2.0
joelib2.gui.render2D.Renderer2DModel.drawNumbers=true
joelib2.gui.render2D.Renderer2DModel.useKekuleStructure=true
joelib2.gui.render2D.Renderer2DModel.showEndCarbons=true
joelib2.gui.render2D.Renderer2DModel.atomColoring=false
joelib2.gui.render2D.Renderer2DModel.drawCarbonAtoms=false
joelib2.gui.render2D.Renderer2DModel.orthoLineOffset=20
joelib2.gui.render2D.Renderer2DModel.arrowOffset=10
joelib2.gui.render2D.Renderer2DModel.arrowSize=5

joelib2.gui.render2D.Renderer2DModel.background.color.r=255
joelib2.gui.render2D.Renderer2DModel.background.color.g=255
joelib2.gui.render2D.Renderer2DModel.background.color.b=255

joelib2.gui.render2D.Renderer2DModel.foreground.color.r=0
joelib2.gui.render2D.Renderer2DModel.foreground.color.g=0
joelib2.gui.render2D.Renderer2DModel.foreground.color.b=0

joelib2.gui.render2D.Renderer2DModel.highlight.color.r=255
joelib2.gui.render2D.Renderer2DModel.highlight.color.g=0
joelib2.gui.render2D.Renderer2DModel.highlight.color.b=0

joelib2.gui.render2D.Renderer2DModel.number.color.r=0
joelib2.gui.render2D.Renderer2DModel.number.color.g=0
joelib2.gui.render2D.Renderer2DModel.number.color.b=255

joelib2.gui.render2D.Renderer2DModel.conjugatedRing.color.r=0
joelib2.gui.render2D.Renderer2DModel.conjugatedRing.color.g=0
joelib2.gui.render2D.Renderer2DModel.conjugatedRing.color.b=0

joelib2.gui.render2D.Renderer2DModel.arrow.color.r=0
joelib2.gui.render2D.Renderer2DModel.arrow.color.g=255
joelib2.gui.render2D.Renderer2DModel.arrow.color.b=0

joelib2.gui.render2D.Renderer2DModel.orthogonalLine.color.r=0
joelib2.gui.render2D.Renderer2DModel.orthogonalLine.color.g=0
joelib2.gui.render2D.Renderer2DModel.orthogonalLine.color.b=255

##############################################################################
# Smiles ARbitrary Target Specification (SMARTS) matcher parameters
##############################################################################
# '*' matches also explicite hydrogens when 'true'
# '*' matches only non-hydrogen (heavy weight) atoms when 'false'
joelib2.smarts.SMARTSParser.anyRecognizesExpliciteHydrogens=false

##############################################################################
# Supported file types
##############################################################################
joelib2.filetypes.1.name           = SDF
joelib2.filetypes.2.name           = XYZ
joelib2.filetypes.3.name           = SMILES
joelib2.filetypes.4.name           = TINKER
joelib2.filetypes.5.name           = CTX
joelib2.filetypes.6.name           = CML
joelib2.filetypes.7.name           = POV
joelib2.filetypes.8.name           = MOL2
joelib2.filetypes.9.name           = PDB
joelib2.filetypes.10.name          = MATLAB
joelib2.filetypes.11.name           = FLAT
joelib2.filetypes.11.representation = joelib2.io.types.Flat
joelib2.filetypes.12.name           = MOLCONNZ
joelib2.filetypes.12.representation = joelib2.io.types.MolconnZ
joelib2.filetypes.13.name           = HIN
joelib2.filetypes.14.name           = GAUSSIANCART
joelib2.filetypes.15.name           = JPEG
joelib2.filetypes.16.name           = GIF
joelib2.filetypes.17.name           = PPM
# PNG requires another implementation or Marvin
#joelib2.filetypes.18.name           = PNG
joelib2.filetypes.18.name           = BMP
joelib2.filetypes.19.name           = PDF
joelib2.filetypes.20.name           = ZIP
joelib2.filetypes.21.name           = PREP
joelib2.filetypes.22.name           = MOPACOUT

#joelib2.filetypes.16.name           = GHEMICAL

# if you want another loader/writer define one
#joelib2.filetypes.1.representation = joelib2.io.types.MDLSD
#joelib2.filetypes.2.representation = joelib2.io.types.XYZ
#joelib2.filetypes.3.representation = joelib2.io.types.Smiles

##############################################################################
# filters
##############################################################################
joelib2.filter.1.name              =NOTFilter
joelib2.filter.1.representation    =joelib2.process.filter.NOTFilter
joelib2.filter.1.descriptionFile   =docs/process/notFilter
joelib2.filter.2.name              =ORFilter
joelib2.filter.2.representation    =joelib2.process.filter.ORFilter
joelib2.filter.2.descriptionFile   =docs/process/orFilter
joelib2.filter.3.name              =ANDFilter
joelib2.filter.3.representation    =joelib2.process.filter.ANDFilter
joelib2.filter.3.descriptionFile   =docs/process/andFilter
joelib2.filter.4.name              =HasDataFilter
joelib2.filter.4.representation    =joelib2.process.filter.HasDataFilter
joelib2.filter.4.descriptionFile   =docs/process/hasDataFilter
joelib2.filter.5.name              =DescriptorFilter
joelib2.filter.5.representation    =joelib2.process.filter.DescriptorFilter
joelib2.filter.5.descriptionFile   =docs/process/descriptorFilter
joelib2.filter.6.name              =NativeValueFilter
joelib2.filter.6.representation    =joelib2.process.filter.NativeValueFilter
joelib2.filter.6.descriptionFile   =docs/process/nativeValueFilter

##############################################################################
# processes
##############################################################################
joelib2.process.1.name              =ProcessPipe
joelib2.process.1.representation    =joelib2.process.ProcessPipe
joelib2.process.1.descriptionFile   =docs/process/processPipe
joelib2.process.2.name              =FeatureSelectionWriter
joelib2.process.2.representation    =joelib2.process.types.FeatureSelectionWriter
joelib2.process.2.descriptionFile   =docs/process/featureSelectionWriter
joelib2.process.3.name              =DescriptorStatistic
joelib2.process.3.representation    =joelib2.process.types.DescStatistic
joelib2.process.3.descriptionFile   =docs/process/descriptorStatistic
################
joelib2.process.4.name              =DescriptorBinning
joelib2.process.4.representation    =joelib2.process.types.DescBinning
joelib2.process.4.descriptionFile   =docs/process/descriptorBinning
joelib2.process.types.DescBinning.numberOfBins=20
################
joelib2.process.5.name              =DistanceCalculation
joelib2.process.5.representation    =joelib2.process.types.DistanceCalculation
joelib2.process.5.descriptionFile   =docs/process/distanceCalculation

##############################################################################
# miscellaneous
##############################################################################

#SD Files
# if set to false aromatic bonds are stored, so this structure can be used
# as QUERY structure. That's only an export feature, internally you can have
# both types by using the kekule bonds or the 'normal/aromatic' bonds.
joelib2.io.types.MDLSD.writeAromaticityAsKekuleSystem=true

#SMILES
joelib2.smiles.SMILESGenerator.assignCisTransInformations=true
joelib2.smiles.SMILESGenerator.assignChiralityInformations=true
joelib2.io.types.Smiles.canonical=false
joelib2.io.types.Smiles.lineStructure=SMILES|TITLE
joelib2.io.types.Smiles.lineStructure.delimiter=|
joelib2.io.types.Smiles.lineStructure.input.delimiter=\u0020\t\n\r
joelib2.io.types.Smiles.lineStructure.output.delimiter=\u0020

# MolconnZ
joelib2.io.types.MolconnZ.parserDefinition=joelib2/data/plain/molconnz350.txt

# Flat
joelib2.io.types.Flat.lineStructure.input.delimiter=\u0020\t\n\r
joelib2.io.types.Flat.lineStructure.output.delimiter=\t
joelib2.io.types.Flat.lineStructure.delimiter=\u0020\t
joelib2.io.types.Flat.lineStructure=TITLE

###########
# CML
# version:            1.0 and 2.0
# ouput:              attributearray, array, large, huge
# delimiter:          if you comment this line, standard white space will be used
# force.formalCharge: formal charges will be always written, even when they are zero
# partialCharge:      write partial atom charge
# hydrogen=joelib2.feature.types.count:      write number of implicite+explicite hydrogens
###########
## use slower memory saving preparser for avoiding to load the complete data set into memory
## This flag will be automatically switched 'ON' for CML files in compressed ZIP files !
## The basic convert does not need it, because it uses already another sequential
## SAX reader (forced by a callback)
joelib2.io.types.ChemicalMarkupLanguage.useSlowerMemorySavingPreparser=false
###########
joelib2.io.types.ChemicalMarkupLanguage.output.defaultVersion=2.0
joelib2.io.types.ChemicalMarkupLanguage.defaultDelimiter=\u0020
#joelib2.io.types.ChemicalMarkupLanguage.defaultDelimiter=|
joelib2.io.types.ChemicalMarkupLanguage.output=huge
joelib2.io.types.ChemicalMarkupLanguage.output.force.formalCharge=false
joelib2.io.types.ChemicalMarkupLanguage.output.partialCharge=true
joelib2.io.types.ChemicalMarkupLanguage.output.hydrogenCount=true
joelib2.io.types.ChemicalMarkupLanguage.output.useNamespace=true
joelib2.io.types.ChemicalMarkupLanguage.output.namespace=cml
joelib2.io.types.ChemicalMarkupLanguage.output.xmlDeclaration=http://www.xml-cml.org/schema/cml2/core
joelib2.io.types.ChemicalMarkupLanguage.DTD.resourceDir=joelib2/io/types/cml/data/
###########
## a first step to 'reproducable' descriptor calculation algorithms
joelib2.io.types.ChemicalMarkupLanguage.output.storeChemistryKernelInfo=true
## these informations are not really a CML standard
###########
joelib2.io.types.ChemicalMarkupLanguage.output.symmetryInformations=false
###########

# PovRay
# ouput type can be: stick, sphere, ball_and_stick
joelib2.io.types.POVRay.output=ball_and_stick
joelib2.io.types.POVRay.atomPropertyColoring=false
joelib2.io.types.POVRay.atomProperty=Gasteiger_Marsili

# Image writer
joelib2.gui.render2D.Mol2Image.defaultWidth=500
joelib2.gui.render2D.Mol2Image.defaultHeight=400

# PDF writer
joelib2.io.types.PDF.fontSize=10
joelib2.io.types.PDF.fontOffset=2
joelib2.io.types.PDF.pageBorder=20

joelib2.temporary.directory.windows=C:\\temp
joelib2.temporary.directory.linux=/tmp

joelib2.process.types.DescBinning.descriptors2ignore=joelib2/data/plain/desc2ignore.txt
joelib2.process.types.DescStatistic.descriptors2ignore=joelib2/data/plain/desc2ignore.txt
joelib2.process.types.DescVarianceNorm.descriptors2ignore=joelib2/data/plain/desc2ignore.txt
joelib2.feature.data.MolDesc=joelib2.feature.types.counter.descriptors2ignore=joelib2/data/plain/desc2ignore.txt
joelib2.feature.data.MoleculesDescriptorMatrix.descriptors2ignore=joelib2/data/plain/desc2ignore.txt

joelib2.feature.data.MoleculesDescriptorMatrix.normalizeOnLoad=true
#joelib2.feature.data.MoleculesDescriptorMatrix.normalizeStatFile=../../datasets/test.sdf

##############################################################################
# number output (!!!) format
# import not implemented for locale!=en and/or groupingUsed!=false
##############################################################################

# initialize the number ouput format !
# number of '0' means the minimum number of digits to use
# number of '#' means the maximum number of digits to use
# in the property file you must use \# to quote the #'s
# If not used all digits will be used.
# deviant to the Java standard the exponential terms with E0 are removed.

#wsi.ra.text.DecimalFormatHelper.double.format=0.\#\#\#\#\#E0

# the both following parameters should be used carefully, because
# the import is not implemented correctly !!!
# e.g.: en, de

#wsi.ra.text.DecimalFormatHelper.double.locale=en
#wsi.ra.text.DecimalFormatHelper.double.groupingUsed=false

##############################################################################
# external processes
##############################################################################
joelib2.external.1.name              =Title2Data
joelib2.external.1.representation    =joelib2.ext.Title2Data
joelib2.external.1.descriptionFile   =docs/ext/title2Data
joelib2.external.1.linux             =../lib/linux/title2data
joelib2.external.1.windows           =..\lib\windows\title2data.exe
joelib2.external.1.argument.1        =MOL_TITLE

##############################################################################
# Features and feature properties
##############################################################################
joelib2.feature.addIfNotExist=true
##############################################
joelib2.feature.0.representation          =joelib2.ring.RingFinderSSSR
joelib2.feature.1.representation          =joelib2.algo.BFS
joelib2.feature.2.representation          =joelib2.algo.DFS
joelib2.feature.3.representation          =joelib2.algo.APropertyBFS
joelib2.feature.4.representation          =joelib2.feature.types.atomlabel.AtomBondOrderSum
joelib2.feature.5.representation          =joelib2.feature.types.atomlabel.AtomElectronAffinity
joelib2.feature.6.representation          =joelib2.feature.types.atomlabel.AtomENAllredRochow
joelib2.feature.7.representation          =joelib2.feature.types.atomlabel.AtomENPauling
joelib2.feature.8.representation          =joelib2.feature.types.atomlabel.AtomENSanderson
joelib2.feature.9.representation          =joelib2.feature.types.atomlabel.AtomExplicitHydrogenCount
joelib2.feature.10.representation         =joelib2.feature.types.atomlabel.AtomFreeElectronsCount
joelib2.feature.11.representation         =joelib2.feature.types.atomlabel.AtomFreeOxygenCount
joelib2.feature.12.representation         =joelib2.feature.types.atomlabel.AtomHeavyValence
joelib2.feature.13.representation         =joelib2.feature.types.atomlabel.AtomHeteroValence
joelib2.feature.14.representation         =joelib2.feature.types.atomlabel.AtomHybridisation
joelib2.feature.15.representation         =joelib2.feature.types.atomlabel.AtomImplicitHydrogenCount
joelib2.feature.16.representation         =joelib2.feature.types.atomlabel.AtomImplicitValence
joelib2.feature.17.representation         =joelib2.feature.types.atomlabel.AtomInAcceptor
joelib2.feature.18.representation         =joelib2.feature.types.atomlabel.AtomInAromaticSystem
joelib2.feature.19.representation         =joelib2.feature.types.atomlabel.AtomInConjEnvironment
joelib2.feature.20.representation         =joelib2.feature.types.atomlabel.AtomInDonAcc
joelib2.feature.21.representation         =joelib2.feature.types.atomlabel.AtomInDonor
joelib2.feature.22.representation         =joelib2.feature.types.atomlabel.AtomInRing
joelib2.feature.23.representation         =joelib2.feature.types.atomlabel.AtomInRingsCount
joelib2.feature.24.representation         =joelib2.feature.types.atomlabel.AtomInTerminalCarbon
joelib2.feature.25.representation         =joelib2.feature.types.atomlabel.AtomIsAlphaBetaUnsaturated
joelib2.feature.26.representation         =joelib2.feature.types.atomlabel.AtomIsAmideNitrogen
joelib2.feature.27.representation         =joelib2.feature.types.atomlabel.AtomIsAntiClockwise
joelib2.feature.28.representation         =joelib2.feature.types.atomlabel.AtomIsAromaticNOxide
joelib2.feature.29.representation         =joelib2.feature.types.atomlabel.AtomIsAxial
joelib2.feature.30.representation         =joelib2.feature.types.atomlabel.AtomIsCarbon
joelib2.feature.31.representation         =joelib2.feature.types.atomlabel.AtomIsCarboxylOxygen
joelib2.feature.32.representation         =joelib2.feature.types.atomlabel.AtomIsChiral
joelib2.feature.33.representation         =joelib2.feature.types.atomlabel.AtomIsClockwise
joelib2.feature.34.representation         =joelib2.feature.types.atomlabel.AtomIsElectronegative
joelib2.feature.35.representation         =joelib2.feature.types.atomlabel.AtomIsHalogen
joelib2.feature.36.representation         =joelib2.feature.types.atomlabel.AtomIsHeteroatom
joelib2.feature.37.representation         =joelib2.feature.types.atomlabel.AtomIsHydrogen
joelib2.feature.38.representation         =joelib2.feature.types.atomlabel.AtomIsNegative
joelib2.feature.39.representation         =joelib2.feature.types.atomlabel.AtomIsNitrogen
joelib2.feature.40.representation         =joelib2.feature.types.atomlabel.AtomIsNitroOxygen
joelib2.feature.41.representation         =joelib2.feature.types.atomlabel.AtomIsNonPolarHydrogen
joelib2.feature.42.representation         =joelib2.feature.types.atomlabel.AtomIsOxygen
joelib2.feature.43.representation         =joelib2.feature.types.atomlabel.AtomIsPhosphateOxygen
joelib2.feature.44.representation         =joelib2.feature.types.atomlabel.AtomIsPhosphorus
joelib2.feature.45.representation         =joelib2.feature.types.atomlabel.AtomIsPolarHydrogen
joelib2.feature.46.representation         =joelib2.feature.types.atomlabel.AtomIsPositive
joelib2.feature.47.representation         =joelib2.feature.types.atomlabel.AtomIsSulfateOxygen
joelib2.feature.48.representation         =joelib2.feature.types.atomlabel.AtomIsSulfur
joelib2.feature.49.representation         =joelib2.feature.types.atomlabel.AtomIsUnsaturated
joelib2.feature.50.representation         =joelib2.feature.types.atomlabel.AtomKekuleBondOrderSum
joelib2.feature.51.representation         =joelib2.feature.types.atomlabel.AtomMass
joelib2.feature.52.representation         =joelib2.feature.types.atomlabel.AtomPartialCharge
joelib2.feature.53.representation         =joelib2.feature.types.atomlabel.AtomType
joelib2.feature.54.representation         =joelib2.feature.types.atomlabel.AtomValence
joelib2.feature.55.representation         =joelib2.feature.types.atomlabel.AtomValenceSum
joelib2.feature.56.representation         =joelib2.feature.types.atomlabel.AtomVanDerWaalsVolume
joelib2.feature.57.representation         =joelib2.feature.types.atompair.TopologicalAtomPair
joelib2.feature.58.representation         =joelib2.feature.types.bondlabel.BondInAromaticSystem
joelib2.feature.59.representation         =joelib2.feature.types.bondlabel.BondInRing
joelib2.feature.60.representation         =joelib2.feature.types.bondlabel.BondIsAmide
joelib2.feature.61.representation         =joelib2.feature.types.bondlabel.BondIsCarbonyl
joelib2.feature.62.representation         =joelib2.feature.types.bondlabel.BondIsClosure
joelib2.feature.63.representation         =joelib2.feature.types.bondlabel.BondIsEster
joelib2.feature.64.representation         =joelib2.feature.types.bondlabel.BondIsPrimaryAmide
joelib2.feature.65.representation         =joelib2.feature.types.bondlabel.BondIsRotor
joelib2.feature.66.representation         =joelib2.feature.types.bondlabel.BondKekuleType
joelib2.feature.67.representation         =joelib2.feature.types.count.AcidicGroups
joelib2.feature.68.representation         =joelib2.feature.types.count.AliphaticOHGroups
joelib2.feature.69.representation         =joelib2.feature.types.count.AromaticBonds
joelib2.feature.70.representation         =joelib2.feature.types.count.AromaticOHGroups
joelib2.feature.71.representation         =joelib2.feature.types.count.BasicGroups
joelib2.feature.72.representation         =joelib2.feature.types.count.HBA1
joelib2.feature.73.representation         =joelib2.feature.types.count.HBA2
joelib2.feature.74.representation         =joelib2.feature.types.count.HBD1
joelib2.feature.75.representation         =joelib2.feature.types.count.HBD2
joelib2.feature.76.representation         =joelib2.feature.types.count.HeavyBonds
joelib2.feature.77.representation         =joelib2.feature.types.count.HeteroCycles
joelib2.feature.78.representation         =joelib2.feature.types.count.HydrophobicGroups
joelib2.feature.79.representation         =joelib2.feature.types.count.NO2Groups
joelib2.feature.80.representation         =joelib2.feature.types.count.NumberOfAtoms
joelib2.feature.81.representation         =joelib2.feature.types.count.NumberOfB
joelib2.feature.82.representation         =joelib2.feature.types.count.NumberOfBonds
joelib2.feature.83.representation         =joelib2.feature.types.count.NumberOfBr
joelib2.feature.84.representation         =joelib2.feature.types.count.NumberOfC
joelib2.feature.85.representation         =joelib2.feature.types.count.NumberOfCl
joelib2.feature.86.representation         =joelib2.feature.types.count.NumberOfF
joelib2.feature.87.representation         =joelib2.feature.types.count.NumberOfHal
joelib2.feature.88.representation         =joelib2.feature.types.count.NumberOfI
joelib2.feature.89.representation         =joelib2.feature.types.count.NumberOfN
joelib2.feature.90.representation         =joelib2.feature.types.count.NumberOfO
joelib2.feature.91.representation         =joelib2.feature.types.count.NumberOfP
joelib2.feature.92.representation         =joelib2.feature.types.count.NumberOfS
joelib2.feature.93.representation         =joelib2.feature.types.count.OSOGroups
joelib2.feature.94.representation         =joelib2.feature.types.count.SO2Groups
joelib2.feature.95.representation         =joelib2.feature.types.count.SOGroups
joelib2.feature.96.representation         =joelib2.feature.types.APropertyDistanceMatrix
joelib2.feature.97.representation         =joelib2.feature.types.Autocorrelation
joelib2.feature.98.representation         =joelib2.feature.types.BCUT
joelib2.feature.99.representation         =joelib2.feature.types.BurdenEigenvalues
joelib2.feature.100.representation        =joelib2.feature.types.BurdenModifiedEigenvalues
joelib2.feature.101.representation        =joelib2.feature.types.ConjElectroTopolState
joelib2.feature.102.representation        =joelib2.feature.types.ConjugatedTopologicalDistance
joelib2.feature.103.representation        =joelib2.feature.types.DistanceDistanceMatrix
joelib2.feature.104.representation        =joelib2.feature.types.DistanceMatrix
joelib2.feature.105.representation        =joelib2.feature.types.ElectrogeometricalState
joelib2.feature.106.representation        =joelib2.feature.types.ElectrotopologicalState
joelib2.feature.107.representation        =joelib2.feature.types.FractionRotatableBonds
joelib2.feature.108.representation        =joelib2.feature.types.GeomDistanceMatrix
joelib2.feature.109.representation        =joelib2.feature.types.GeometricalDiameter
joelib2.feature.110.representation        =joelib2.feature.types.GeometricalRadius
joelib2.feature.111.representation        =joelib2.feature.types.GeometricalShapeCoefficient
joelib2.feature.112.representation        =joelib2.feature.types.GlobalTopologicalChargeIndex
joelib2.feature.113.representation        =joelib2.feature.types.GraphPotentials
joelib2.feature.114.representation        =joelib2.feature.types.GraphShapeCoefficient
joelib2.feature.115.representation        =joelib2.feature.types.IntrinsicState
joelib2.feature.116.representation        =joelib2.feature.types.KierShape1
joelib2.feature.117.representation        =joelib2.feature.types.KierShape2
joelib2.feature.118.representation        =joelib2.feature.types.KierShape3
joelib2.feature.119.representation        =joelib2.feature.types.LogP
joelib2.feature.120.representation        =joelib2.feature.types.MolarRefractivity
joelib2.feature.121.representation        =joelib2.feature.types.MolecularWeight
joelib2.feature.122.representation        =joelib2.feature.types.PolarSurfaceArea
j##############################################
joelib2.feature.123.representation        =joelib2.feature.types.RadialDistributionFunction
joelib2.feature.types.RadialDistributionFunction.minSphericalVolume        = 0.2
joelib2.feature.types.RadialDistributionFunction.maxSphericalVolume        = 10.0
joelib2.feature.types.RadialDistributionFunction.sphericalVolumeResolution = 0.05
joelib2.feature.types.RadialDistributionFunction.smoothingFactor           = 25
##############################################
joelib2.feature.124.representation        =joelib2.feature.types.RotatableBonds
joelib2.feature.125.representation        =joelib2.feature.types.SMILESMolecule
joelib2.feature.126.representation        =joelib2.feature.types.SSKey3DS
joelib2.feature.127.representation        =joelib2.feature.types.TopologicalDiameter
joelib2.feature.128.representation        =joelib2.feature.types.TopologicalRadius
joelib2.feature.129.representation        =joelib2.feature.types.WeightedBurdenEigenvalues
joelib2.feature.130.representation        =joelib2.feature.types.WeightedBurdenModifiedEigenvalues
joelib2.feature.131.representation        =joelib2.feature.types.ZagrebIndex1
joelib2.feature.132.representation        =joelib2.feature.types.MoleculeHashcode
joelib2.feature.133.representation        =joelib2.feature.types.CharacteristicPolynomialCoefficients
joelib2.feature.134.representation        =joelib2.feature.types.CharacteristicPolynomial
#joelib2.feature.135.representation        =joelib2.feature.types.cfm.CompressedFeatureMatrix
#joelib2.feature.136.representation        =
#joelib2.feature.137.representation        =
#joelib2.feature.138.representation        =
#joelib2.feature.139.representation        =
#joelib2.feature.140.representation        =
#joelib2.feature.141.representation        =

##############################################################################
# End of JOELib2 properties definitions
##############################################################################

##############################################################################
# Start of JTextTools definitions
##############################################################################
jtt.docbook.DocBookEquations.latex=/usr/bin/latex
jtt.docbook.DocBookEquations.dvips=/usr/bin/dvips
jtt.docbook.DocBookEquations.convert=/usr/bin/convert
#jtt.docbook.DocBookEquations.latex=C:/Programme/latex/texmf/miktex/bin/latex.exe
#jtt.docbook.DocBookEquations.dvips=C:/Programme/latex/texmf/miktex/bin/dvips.exe
#jtt.docbook.DocBookEquations.convert=C:/Programme/ImageMagick/convert.exe
jtt.docbook.DocBookEquations.fontSize=12
jtt.docbook.DocBookEquations.bold=true
jtt.docbook.DocBookEquations.large=true
jtt.docbook.DocBookEquations.fileExtension=sgml

jtt.docbook.DocBookMolecules.fileExtension=sgml

jtt.docbook.Jade.jade=/usr/bin/jade
#jtt.docbook.Jade.jade=C:/cygwin/usr/share/sgml/docbook/jade121/jade
jtt.docbook.Jade.DSSSL.rtf=/usr/share/sgml/docbook/dsssl-stylesheets-1.77/print/docbook.dsl
jtt.docbook.Jade.DSSSL.html=/usr/share/sgml/docbook/dsssl-stylesheets-1.77/html/docbook.dsl
jtt.docbook.Jade.SGML.catalg.files=/usr/share/sgml/docbook_4.2/docbook.cat:/usr/share/sgml/jade_dsl/catalog
jtt.docbook.Jade.index=true

jtt.docbook.DocBookArticles.version=XML V4.2
jtt.docbook.DocBookArticles.fileExtension=sgml
jtt.docbook.DocBookArticles.DTD=/usr/share/sgml/docbook_4.2/docbook.dtd
##############################################################################
# End of JTextTools definitions
##############################################################################