https://bugzilla.redhat.com/show_bug.cgi?id=804125
--- Comment #31 from Christopher Meng <i(a)cicku.me> ---
Package Review
==============
Legend:
[x] = Pass, [!] = Fail, [-] = Not applicable, [?] = Not evaluated
Issues:
=======
- Header files in -devel subpackage, if present.
Note: rdkit-extras :
/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.h rdkit-extras :
/usr/share/RDKit/Contrib/PBF/PBFRDKit.h
See:
http://fedoraproject.org/wiki/Packaging/Guidelines#DevelPackages
===== MUST items =====
C/C++:
[x]: Package does not contain kernel modules.
[x]: Package contains no static executables.
[x]: Development (unversioned) .so files in -devel subpackage, if present.
Note: Unversioned so-files in private %_libdir subdirectory (see
attachment). Verify they are not in ld path.
[x]: ldconfig called in %post and %postun if required.
[x]: Package does not contain any libtool archives (.la)
[x]: Rpath absent or only used for internal libs.
Generic:
[x]: Package is licensed with an open-source compatible license and meets
other legal requirements as defined in the legal section of Packaging
Guidelines.
[x]: License field in the package spec file matches the actual license.
Note: Checking patched sources after %prep for licenses. Licenses found:
"BSD (3 clause)", "BSD (2 clause)", "Unknown or
generated", "BSL (v1.0)".
992 files have unknown license. Detailed output of licensecheck:
BSD (2 clause)
--------------
rdkit-Release_2014_03_1/rdkit/Chem/MCS.py
rdkit-Release_2014_03_1/rdkit/Chem/fmcs/fmcs.py
BSD (3 clause)
--------------
rdkit-Release_2014_03_1/Code/GraphMol/ChemReactions/DaylightParser.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ChemReactions/MDLParser.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ChemReactions/Reaction.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ChemReactions/Reaction.h
rdkit-Release_2014_03_1/Code/GraphMol/ChemReactions/ReactionDepict.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ChemReactions/ReactionParser.h
rdkit-Release_2014_03_1/Code/GraphMol/ChemReactions/ReactionWriter.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py
rdkit-Release_2014_03_1/Code/GraphMol/ChemReactions/testReaction.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/Mol2FileParser.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/testMol2ToMol.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Fingerprints/MorganFingerprints.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Fingerprints/MorganFingerprints.h
rdkit-Release_2014_03_1/Code/GraphMol/MolDrawing/DrawingToSVG.h
rdkit-Release_2014_03_1/Code/GraphMol/SLNParse/SLNAttribs.cpp
rdkit-Release_2014_03_1/Code/GraphMol/SLNParse/SLNAttribs.h
rdkit-Release_2014_03_1/Code/GraphMol/SLNParse/SLNParse.cpp
rdkit-Release_2014_03_1/Code/GraphMol/SLNParse/SLNParse.h
rdkit-Release_2014_03_1/Code/GraphMol/SLNParse/SLNParseOps.h
rdkit-Release_2014_03_1/Code/GraphMol/SLNParse/Wrap/rdSLNParse.cpp
rdkit-Release_2014_03_1/Code/GraphMol/SLNParse/Wrap/testSLN.py
rdkit-Release_2014_03_1/Code/GraphMol/SLNParse/test.cpp
rdkit-Release_2014_03_1/Code/JavaWrappers/Lipinski.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/AlignTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/AromaticTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/AtomPairsTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/AvalonLibTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/BasicMolecule2Tests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/BasicMoleculeTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/ChemAtomTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/ChemBondTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/ChemReactionTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/ChemSmartsTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/ChemTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/ChemTransformsTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/Chemv2Tests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/ConformerTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/DescriptorTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/DistanceGeometryTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/ErrorHandlingTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/FingerprintsTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/ForceFieldsTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/GraphMolTest.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/GraphMolTestSuite.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/HManipulationsTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/InchiTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/LipinskiTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/MemoryTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/PDBTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/PicklingTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/SmilesCreationTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/SmilesDetailsTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/SmilesTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/SuppliersTests.java
rdkit-Release_2014_03_1/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/WrapperTests.java
rdkit-Release_2014_03_1/Code/PgSQL/rdkit/adapter.cpp
rdkit-Release_2014_03_1/Code/PgSQL/rdkit/bfp_op.c
rdkit-Release_2014_03_1/Code/PgSQL/rdkit/cache.c
rdkit-Release_2014_03_1/Code/PgSQL/rdkit/guc.c
rdkit-Release_2014_03_1/Code/PgSQL/rdkit/low_gist.c
rdkit-Release_2014_03_1/Code/PgSQL/rdkit/mol_op.c
rdkit-Release_2014_03_1/Code/PgSQL/rdkit/rdkit.h
rdkit-Release_2014_03_1/Code/PgSQL/rdkit/rdkit_gist.c
rdkit-Release_2014_03_1/Code/PgSQL/rdkit/rdkit_io.c
rdkit-Release_2014_03_1/Code/PgSQL/rdkit/sfp_op.c
rdkit-Release_2014_03_1/Contrib/ConformerParser/ConformerParser.cpp
rdkit-Release_2014_03_1/Contrib/ConformerParser/ConformerParser.h
rdkit-Release_2014_03_1/Contrib/ConformerParser/Wrap/rdConformerParser.cpp
rdkit-Release_2014_03_1/Contrib/ConformerParser/test.cpp
rdkit-Release_2014_03_1/Contrib/LEF/AddLabels.py
rdkit-Release_2014_03_1/Contrib/LEF/ClusterFps.py
rdkit-Release_2014_03_1/Contrib/LEF/CreateFps.py
rdkit-Release_2014_03_1/Contrib/LEF/DistancePlot.py
rdkit-Release_2014_03_1/Contrib/LEF/DistancePredict.py
rdkit-Release_2014_03_1/Contrib/PBF/PBFRDKit.cpp
rdkit-Release_2014_03_1/Contrib/PBF/PBFRDKit.h
rdkit-Release_2014_03_1/Contrib/fraggle/atomcontrib.py
rdkit-Release_2014_03_1/Contrib/fraggle/cxn_tversky.py
rdkit-Release_2014_03_1/Contrib/fraggle/fraggle.py
rdkit-Release_2014_03_1/Contrib/fraggle/rdkit_tversky.py
rdkit-Release_2014_03_1/Contrib/mmpa/cansmirk.py
rdkit-Release_2014_03_1/Contrib/mmpa/create_mmp_db.py
rdkit-Release_2014_03_1/Contrib/mmpa/indexing.py
rdkit-Release_2014_03_1/Contrib/mmpa/mol_transform.py
rdkit-Release_2014_03_1/Contrib/mmpa/rfrag.py
rdkit-Release_2014_03_1/Contrib/mmpa/search_mmp_db.py
rdkit-Release_2014_03_1/External/INCHI-API/Wrap/pyInchi.cpp
rdkit-Release_2014_03_1/External/INCHI-API/download-inchi.sh
rdkit-Release_2014_03_1/External/INCHI-API/inchi.cpp
rdkit-Release_2014_03_1/External/INCHI-API/inchi.h
rdkit-Release_2014_03_1/External/INCHI-API/python/inchi.py
rdkit-Release_2014_03_1/External/INCHI-API/python/noinchi.py
rdkit-Release_2014_03_1/Projects/DbCLI/CreateDb.py
rdkit-Release_2014_03_1/Projects/DbCLI/SearchDb.py
rdkit-Release_2014_03_1/Projects/SDView4/SDView.py
rdkit-Release_2014_03_1/rdkit/Chem/BRICS.py
rdkit-Release_2014_03_1/rdkit/Chem/Draw/SimilarityMaps.py
rdkit-Release_2014_03_1/rdkit/Chem/Draw/UnitTestSimilarityMaps.py
rdkit-Release_2014_03_1/rdkit/Chem/Fraggle/FraggleSim.py
rdkit-Release_2014_03_1/rdkit/Chem/FunctionalGroups.py
rdkit-Release_2014_03_1/rdkit/Chem/Recap.py
rdkit-Release_2014_03_1/rdkit/Chem/SaltRemover.py
rdkit-Release_2014_03_1/rdkit/Chem/SimpleEnum/Enumerator.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestFunctionalGroups.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestInchi.py
rdkit-Release_2014_03_1/rdkit/ML/Scoring/UnitTestScoring.py
BSL (v1.0)
----------
rdkit-Release_2014_03_1/Code/Demos/boost/smartPtrsAndIters/module.cpp
rdkit-Release_2014_03_1/Code/Demos/boost/smartPtrsAndIters/test.py
rdkit-Release_2014_03_1/Code/RDGeneral/hash/detail/float_functions.hpp
rdkit-Release_2014_03_1/Code/RDGeneral/hash/detail/hash_float.hpp
rdkit-Release_2014_03_1/Code/RDGeneral/hash/extensions.hpp
rdkit-Release_2014_03_1/Code/RDGeneral/hash/hash.hpp
rdkit-Release_2014_03_1/Code/RDGeneral/hash/hash_fwd.hpp
Unknown or generated
--------------------
rdkit-Release_2014_03_1/Code/Catalogs/Catalog.cpp
rdkit-Release_2014_03_1/Code/Catalogs/Catalog.h
rdkit-Release_2014_03_1/Code/Catalogs/CatalogEntry.cpp
rdkit-Release_2014_03_1/Code/Catalogs/CatalogEntry.h
rdkit-Release_2014_03_1/Code/Catalogs/CatalogParams.cpp
rdkit-Release_2014_03_1/Code/Catalogs/CatalogParams.h
rdkit-Release_2014_03_1/Code/ChemicalFeatures/ChemicalFeature.h
rdkit-Release_2014_03_1/Code/ChemicalFeatures/FreeChemicalFeature.cpp
rdkit-Release_2014_03_1/Code/ChemicalFeatures/FreeChemicalFeature.h
rdkit-Release_2014_03_1/Code/ChemicalFeatures/Wrap/FreeChemicalFeature.cpp
rdkit-Release_2014_03_1/Code/ChemicalFeatures/Wrap/rdChemicalFeatures.cpp
rdkit-Release_2014_03_1/Code/ChemicalFeatures/Wrap/testFeatures.py
rdkit-Release_2014_03_1/Code/ChemicalFeatures/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/ChemicalFeatures/testChemicalFeatures.cpp
rdkit-Release_2014_03_1/Code/ChemicalFeatures/test_list.py
rdkit-Release_2014_03_1/Code/DataManip/MetricMatrixCalc/MetricFuncs.h
rdkit-Release_2014_03_1/Code/DataManip/MetricMatrixCalc/MetricMatrixCalc.h
rdkit-Release_2014_03_1/Code/DataManip/MetricMatrixCalc/Wrap/rdMetricMatrixCalc.cpp
rdkit-Release_2014_03_1/Code/DataManip/MetricMatrixCalc/Wrap/testMatricCalc.py
rdkit-Release_2014_03_1/Code/DataManip/MetricMatrixCalc/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/DataManip/MetricMatrixCalc/testMatCalc.cpp
rdkit-Release_2014_03_1/Code/DataManip/MetricMatrixCalc/test_list.py
rdkit-Release_2014_03_1/Code/DataStructs/BitOps.cpp
rdkit-Release_2014_03_1/Code/DataStructs/BitOps.h
rdkit-Release_2014_03_1/Code/DataStructs/BitVect.cpp
rdkit-Release_2014_03_1/Code/DataStructs/BitVect.h
rdkit-Release_2014_03_1/Code/DataStructs/BitVectUtils.h
rdkit-Release_2014_03_1/Code/DataStructs/BitVects.h
rdkit-Release_2014_03_1/Code/DataStructs/DatastructsException.h
rdkit-Release_2014_03_1/Code/DataStructs/DiscreteDistMat.cpp
rdkit-Release_2014_03_1/Code/DataStructs/DiscreteDistMat.h
rdkit-Release_2014_03_1/Code/DataStructs/DiscreteValueVect.cpp
rdkit-Release_2014_03_1/Code/DataStructs/DiscreteValueVect.h
rdkit-Release_2014_03_1/Code/DataStructs/ExplicitBitVect.cpp
rdkit-Release_2014_03_1/Code/DataStructs/ExplicitBitVect.h
rdkit-Release_2014_03_1/Code/DataStructs/SparseBitVect.cpp
rdkit-Release_2014_03_1/Code/DataStructs/SparseBitVect.h
rdkit-Release_2014_03_1/Code/DataStructs/SparseIntVect.h
rdkit-Release_2014_03_1/Code/DataStructs/Utils.cpp
rdkit-Release_2014_03_1/Code/DataStructs/Wrap/DataStructs.cpp
rdkit-Release_2014_03_1/Code/DataStructs/Wrap/DataStructs.h
rdkit-Release_2014_03_1/Code/DataStructs/Wrap/DiscreteValueVect.cpp
rdkit-Release_2014_03_1/Code/DataStructs/Wrap/SparseIntVect.cpp
rdkit-Release_2014_03_1/Code/DataStructs/Wrap/testBV.py
rdkit-Release_2014_03_1/Code/DataStructs/Wrap/testDiscreteValueVect.py
rdkit-Release_2014_03_1/Code/DataStructs/Wrap/testSparseIntVect.py
rdkit-Release_2014_03_1/Code/DataStructs/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/DataStructs/Wrap/wrap_BitOps.cpp
rdkit-Release_2014_03_1/Code/DataStructs/Wrap/wrap_ExplicitBV.cpp
rdkit-Release_2014_03_1/Code/DataStructs/Wrap/wrap_SparseBV.cpp
rdkit-Release_2014_03_1/Code/DataStructs/Wrap/wrap_Utils.cpp
rdkit-Release_2014_03_1/Code/DataStructs/Wrap/wrap_helpers.h
rdkit-Release_2014_03_1/Code/DataStructs/base64.cpp
rdkit-Release_2014_03_1/Code/DataStructs/base64.h
rdkit-Release_2014_03_1/Code/DataStructs/testDatastructs.cpp
rdkit-Release_2014_03_1/Code/DataStructs/test_list.py
rdkit-Release_2014_03_1/Code/Demos/RDKit/Basement/BinaryIO/iotest.cpp
rdkit-Release_2014_03_1/Code/Demos/RDKit/Basement/BinaryIO/test_list.py
rdkit-Release_2014_03_1/Code/Demos/RDKit/Basement/Minimize/MinimizeCLI.cpp
rdkit-Release_2014_03_1/Code/Demos/RDKit/Basement/TemplEnum/TemplEnum.h
rdkit-Release_2014_03_1/Code/Demos/RDKit/Basement/TemplEnum/TemplEnumTools.cpp
rdkit-Release_2014_03_1/Code/Demos/RDKit/Basement/TemplEnum/main.cpp
rdkit-Release_2014_03_1/Code/Demos/RDKit/Basement/TemplEnum/simple.cpp
rdkit-Release_2014_03_1/Code/Demos/RDKit/Basement/xpcom/IRDKit.h
rdkit-Release_2014_03_1/Code/Demos/RDKit/Basement/xpcom/IRDKitImpl.cpp
rdkit-Release_2014_03_1/Code/Demos/RDKit/Basement/xpcom/RDKitImpl.cpp
rdkit-Release_2014_03_1/Code/Demos/RDKit/Basement/xpcom/RDKitImpl.h
rdkit-Release_2014_03_1/Code/Demos/RDKit/Basement/xpcom/RDMolImpl.cpp
rdkit-Release_2014_03_1/Code/Demos/RDKit/Basement/xpcom/RDMolImpl.h
rdkit-Release_2014_03_1/Code/Demos/RDKit/Basement/xpcom/RDMolSupplierImpl.cpp
rdkit-Release_2014_03_1/Code/Demos/RDKit/Basement/xpcom/RDMolSupplierImpl.h
rdkit-Release_2014_03_1/Code/Demos/RDKit/Draw/demo.cpp
rdkit-Release_2014_03_1/Code/Demos/RDKit/Draw/qtDemo/RDKitMolToQPainter.cc
rdkit-Release_2014_03_1/Code/Demos/RDKit/Draw/qtDemo/qtdraw_demo.cc
rdkit-Release_2014_03_1/Code/Demos/RDKit/GettingStarted/sample.cpp
rdkit-Release_2014_03_1/Code/Demos/RDKit/MPI/rdkexample1.cpp
rdkit-Release_2014_03_1/Code/Demos/RDKit/MPI/rdkexample2.cpp
rdkit-Release_2014_03_1/Code/Demos/RDKit/MPI/rdkpympi.py
rdkit-Release_2014_03_1/Code/Demos/boost/EBV_err/classA.h
rdkit-Release_2014_03_1/Code/Demos/boost/EBV_err/classC.h
rdkit-Release_2014_03_1/Code/Demos/boost/EBV_err/moduleB.cpp
rdkit-Release_2014_03_1/Code/Demos/boost/EBV_err/setup.py
rdkit-Release_2014_03_1/Code/Demos/boost/EBV_err/test.py
rdkit-Release_2014_03_1/Code/Demos/boost/EBV_err/wrapA.cpp
rdkit-Release_2014_03_1/Code/Demos/boost/EBV_err/wrapC.cpp
rdkit-Release_2014_03_1/Code/Demos/boost/any_container/dict.cpp
rdkit-Release_2014_03_1/Code/Demos/boost/cross_mod_err/classA.h
rdkit-Release_2014_03_1/Code/Demos/boost/cross_mod_err/classC.h
rdkit-Release_2014_03_1/Code/Demos/boost/cross_mod_err/moduleB.cpp
rdkit-Release_2014_03_1/Code/Demos/boost/cross_mod_err/setup.py
rdkit-Release_2014_03_1/Code/Demos/boost/cross_mod_err/test.py
rdkit-Release_2014_03_1/Code/Demos/boost/cross_mod_err/wrapA.cpp
rdkit-Release_2014_03_1/Code/Demos/boost/cross_mod_err/wrapC.cpp
rdkit-Release_2014_03_1/Code/Demos/boost/cross_module/moda.cpp
rdkit-Release_2014_03_1/Code/Demos/boost/cross_module/modb.cpp
rdkit-Release_2014_03_1/Code/Demos/boost/cross_module/mods.h
rdkit-Release_2014_03_1/Code/Demos/boost/cross_module/setup.py
rdkit-Release_2014_03_1/Code/Demos/boost/cross_module/test.py
rdkit-Release_2014_03_1/Code/Demos/boost/numpy/linalg.cpp
rdkit-Release_2014_03_1/Code/Demos/boost/numpy/setup.py
rdkit-Release_2014_03_1/Code/Demos/boost/numpy/test.py
rdkit-Release_2014_03_1/Code/Demos/boost/overloads/overloads.cpp
rdkit-Release_2014_03_1/Code/Demos/boost/overloads/setup.py
rdkit-Release_2014_03_1/Code/Demos/boost/overloads/test.py
rdkit-Release_2014_03_1/Code/Demos/boost/python_objs/python_objs.cpp
rdkit-Release_2014_03_1/Code/Demos/boost/python_objs/setup.py
rdkit-Release_2014_03_1/Code/Demos/boost/python_objs/test.py
rdkit-Release_2014_03_1/Code/Demos/boost/smartPtrsAndIters/setup.py
rdkit-Release_2014_03_1/Code/Demos/sqlite/rdk_funcs.cpp
rdkit-Release_2014_03_1/Code/DistGeom/BoundsMatrix.h
rdkit-Release_2014_03_1/Code/DistGeom/ChiralSet.h
rdkit-Release_2014_03_1/Code/DistGeom/ChiralViolationContrib.cpp
rdkit-Release_2014_03_1/Code/DistGeom/ChiralViolationContrib.h
rdkit-Release_2014_03_1/Code/DistGeom/DistGeomUtils.cpp
rdkit-Release_2014_03_1/Code/DistGeom/DistGeomUtils.h
rdkit-Release_2014_03_1/Code/DistGeom/DistViolationContrib.cpp
rdkit-Release_2014_03_1/Code/DistGeom/DistViolationContrib.h
rdkit-Release_2014_03_1/Code/DistGeom/FourthDimContrib.h
rdkit-Release_2014_03_1/Code/DistGeom/TriangleSmooth.cpp
rdkit-Release_2014_03_1/Code/DistGeom/TriangleSmooth.h
rdkit-Release_2014_03_1/Code/DistGeom/Wrap/DistGeom.cpp
rdkit-Release_2014_03_1/Code/DistGeom/Wrap/rough_test.py
rdkit-Release_2014_03_1/Code/DistGeom/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/DistGeom/testDistGeom.cpp
rdkit-Release_2014_03_1/Code/DistGeom/test_list.py
rdkit-Release_2014_03_1/Code/Features/Feature.cpp
rdkit-Release_2014_03_1/Code/Features/Feature.h
rdkit-Release_2014_03_1/Code/Features/testFeatures.cpp
rdkit-Release_2014_03_1/Code/Features/test_list.py
rdkit-Release_2014_03_1/Code/ForceField/Contrib.h
rdkit-Release_2014_03_1/Code/ForceField/ForceField.cpp
rdkit-Release_2014_03_1/Code/ForceField/ForceField.h
rdkit-Release_2014_03_1/Code/ForceField/MMFF/AngleBend.cpp
rdkit-Release_2014_03_1/Code/ForceField/MMFF/AngleBend.h
rdkit-Release_2014_03_1/Code/ForceField/MMFF/AngleConstraint.cpp
rdkit-Release_2014_03_1/Code/ForceField/MMFF/AngleConstraint.h
rdkit-Release_2014_03_1/Code/ForceField/MMFF/BondStretch.cpp
rdkit-Release_2014_03_1/Code/ForceField/MMFF/BondStretch.h
rdkit-Release_2014_03_1/Code/ForceField/MMFF/Contribs.h
rdkit-Release_2014_03_1/Code/ForceField/MMFF/DistanceConstraint.cpp
rdkit-Release_2014_03_1/Code/ForceField/MMFF/DistanceConstraint.h
rdkit-Release_2014_03_1/Code/ForceField/MMFF/Nonbonded.cpp
rdkit-Release_2014_03_1/Code/ForceField/MMFF/Nonbonded.h
rdkit-Release_2014_03_1/Code/ForceField/MMFF/OopBend.cpp
rdkit-Release_2014_03_1/Code/ForceField/MMFF/OopBend.h
rdkit-Release_2014_03_1/Code/ForceField/MMFF/Params.cpp
rdkit-Release_2014_03_1/Code/ForceField/MMFF/Params.h
rdkit-Release_2014_03_1/Code/ForceField/MMFF/PositionConstraint.cpp
rdkit-Release_2014_03_1/Code/ForceField/MMFF/PositionConstraint.h
rdkit-Release_2014_03_1/Code/ForceField/MMFF/StretchBend.cpp
rdkit-Release_2014_03_1/Code/ForceField/MMFF/StretchBend.h
rdkit-Release_2014_03_1/Code/ForceField/MMFF/TorsionAngle.cpp
rdkit-Release_2014_03_1/Code/ForceField/MMFF/TorsionAngle.h
rdkit-Release_2014_03_1/Code/ForceField/MMFF/TorsionConstraint.cpp
rdkit-Release_2014_03_1/Code/ForceField/MMFF/TorsionConstraint.h
rdkit-Release_2014_03_1/Code/ForceField/MMFF/testMMFFForceField.cpp
rdkit-Release_2014_03_1/Code/ForceField/MMFF/testMMFFForceField.h
rdkit-Release_2014_03_1/Code/ForceField/UFF/AngleBend.cpp
rdkit-Release_2014_03_1/Code/ForceField/UFF/AngleBend.h
rdkit-Release_2014_03_1/Code/ForceField/UFF/AngleConstraint.cpp
rdkit-Release_2014_03_1/Code/ForceField/UFF/AngleConstraint.h
rdkit-Release_2014_03_1/Code/ForceField/UFF/BondStretch.cpp
rdkit-Release_2014_03_1/Code/ForceField/UFF/BondStretch.h
rdkit-Release_2014_03_1/Code/ForceField/UFF/Contribs.h
rdkit-Release_2014_03_1/Code/ForceField/UFF/DistanceConstraint.cpp
rdkit-Release_2014_03_1/Code/ForceField/UFF/DistanceConstraint.h
rdkit-Release_2014_03_1/Code/ForceField/UFF/Inversion.cpp
rdkit-Release_2014_03_1/Code/ForceField/UFF/Inversion.h
rdkit-Release_2014_03_1/Code/ForceField/UFF/Nonbonded.cpp
rdkit-Release_2014_03_1/Code/ForceField/UFF/Nonbonded.h
rdkit-Release_2014_03_1/Code/ForceField/UFF/Params.cpp
rdkit-Release_2014_03_1/Code/ForceField/UFF/Params.h
rdkit-Release_2014_03_1/Code/ForceField/UFF/PositionConstraint.cpp
rdkit-Release_2014_03_1/Code/ForceField/UFF/PositionConstraint.h
rdkit-Release_2014_03_1/Code/ForceField/UFF/TorsionAngle.cpp
rdkit-Release_2014_03_1/Code/ForceField/UFF/TorsionAngle.h
rdkit-Release_2014_03_1/Code/ForceField/UFF/TorsionConstraint.cpp
rdkit-Release_2014_03_1/Code/ForceField/UFF/TorsionConstraint.h
rdkit-Release_2014_03_1/Code/ForceField/UFF/testUFFForceField.cpp
rdkit-Release_2014_03_1/Code/ForceField/UFF/test_list.py
rdkit-Release_2014_03_1/Code/ForceField/Wrap/ForceField.cpp
rdkit-Release_2014_03_1/Code/ForceField/Wrap/PyForceField.h
rdkit-Release_2014_03_1/Code/ForceField/Wrap/testConstraints.py
rdkit-Release_2014_03_1/Code/ForceField/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/Geometry/Grid3D.h
rdkit-Release_2014_03_1/Code/Geometry/GridUtils.cpp
rdkit-Release_2014_03_1/Code/Geometry/GridUtils.h
rdkit-Release_2014_03_1/Code/Geometry/Transform.h
rdkit-Release_2014_03_1/Code/Geometry/Transform2D.cpp
rdkit-Release_2014_03_1/Code/Geometry/Transform2D.h
rdkit-Release_2014_03_1/Code/Geometry/Transform3D.cpp
rdkit-Release_2014_03_1/Code/Geometry/Transform3D.h
rdkit-Release_2014_03_1/Code/Geometry/UniformGrid3D.cpp
rdkit-Release_2014_03_1/Code/Geometry/UniformGrid3D.h
rdkit-Release_2014_03_1/Code/Geometry/Utils.h
rdkit-Release_2014_03_1/Code/Geometry/Wrap/Point.cpp
rdkit-Release_2014_03_1/Code/Geometry/Wrap/UniformGrid3D.cpp
rdkit-Release_2014_03_1/Code/Geometry/Wrap/rdGeometry.cpp
rdkit-Release_2014_03_1/Code/Geometry/Wrap/testGeometry.py
rdkit-Release_2014_03_1/Code/Geometry/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/Geometry/point.cpp
rdkit-Release_2014_03_1/Code/Geometry/point.h
rdkit-Release_2014_03_1/Code/Geometry/testGrid.cpp
rdkit-Release_2014_03_1/Code/Geometry/testTransforms.cpp
rdkit-Release_2014_03_1/Code/Geometry/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/AddHs.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Aromaticity.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Atom.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Atom.h
rdkit-Release_2014_03_1/Code/GraphMol/AtomIterators.cpp
rdkit-Release_2014_03_1/Code/GraphMol/AtomIterators.h
rdkit-Release_2014_03_1/Code/GraphMol/Basement/FeatTrees/FeatTree.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Basement/FeatTrees/FeatTree.h
rdkit-Release_2014_03_1/Code/GraphMol/Basement/FeatTrees/FeatTreeUtils.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Basement/FeatTrees/FeatTreeUtils.h
rdkit-Release_2014_03_1/Code/GraphMol/Basement/FeatTrees/testFeatTrees.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Bond.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Bond.h
rdkit-Release_2014_03_1/Code/GraphMol/BondIterators.cpp
rdkit-Release_2014_03_1/Code/GraphMol/BondIterators.h
rdkit-Release_2014_03_1/Code/GraphMol/Canon.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Canon.h
rdkit-Release_2014_03_1/Code/GraphMol/ChemReactions/ReactionPickler.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ChemReactions/ReactionPickler.h
rdkit-Release_2014_03_1/Code/GraphMol/ChemReactions/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/ChemReactions/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/ChemTransforms/ChemTransforms.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ChemTransforms/ChemTransforms.h
rdkit-Release_2014_03_1/Code/GraphMol/ChemTransforms/MolFragmenter.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ChemTransforms/MolFragmenter.h
rdkit-Release_2014_03_1/Code/GraphMol/ChemTransforms/testChemTransforms.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ChemTransforms/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/Chirality.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Chirality.h
rdkit-Release_2014_03_1/Code/GraphMol/Conformer.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Conformer.h
rdkit-Release_2014_03_1/Code/GraphMol/ConjugHybrid.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Depictor/Basement/Depictor.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Depictor/Basement/Depictor.h
rdkit-Release_2014_03_1/Code/GraphMol/Depictor/Basement/DepictorDLL.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Depictor/Basement/depictTest.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Depictor/DepictUtils.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Depictor/DepictUtils.h
rdkit-Release_2014_03_1/Code/GraphMol/Depictor/EmbeddedFrag.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Depictor/EmbeddedFrag.h
rdkit-Release_2014_03_1/Code/GraphMol/Depictor/RDDepictor.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Depictor/RDDepictor.h
rdkit-Release_2014_03_1/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Depictor/Wrap/testDepictor.py
rdkit-Release_2014_03_1/Code/GraphMol/Depictor/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/Depictor/testDepictor.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Depictor/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Descriptors/ConnectivityDescriptors.h
rdkit-Release_2014_03_1/Code/GraphMol/Descriptors/Crippen.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Descriptors/Crippen.h
rdkit-Release_2014_03_1/Code/GraphMol/Descriptors/Lipinski.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Descriptors/Lipinski.h
rdkit-Release_2014_03_1/Code/GraphMol/Descriptors/MQN.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Descriptors/MQN.h
rdkit-Release_2014_03_1/Code/GraphMol/Descriptors/MolDescriptors.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Descriptors/MolDescriptors.h
rdkit-Release_2014_03_1/Code/GraphMol/Descriptors/MolSurf.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Descriptors/MolSurf.h
rdkit-Release_2014_03_1/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Descriptors/Wrap/testMolDescriptors.py
rdkit-Release_2014_03_1/Code/GraphMol/Descriptors/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/Descriptors/test.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Descriptors/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp
rdkit-Release_2014_03_1/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h
rdkit-Release_2014_03_1/Code/GraphMol/DistGeomHelpers/Embedder.cpp
rdkit-Release_2014_03_1/Code/GraphMol/DistGeomHelpers/Embedder.h
rdkit-Release_2014_03_1/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp
rdkit-Release_2014_03_1/Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py
rdkit-Release_2014_03_1/Code/GraphMol/DistGeomHelpers/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp
rdkit-Release_2014_03_1/Code/GraphMol/DistGeomHelpers/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/FileParserUtils.h
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/FileParsers.h
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/ForwardSDMolSupplier.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/MolFileParser.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/MolFileStereochem.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/MolFileStereochem.h
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/MolFileWriter.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/MolSupplier.h
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/MolWriters.h
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/PDBParser.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/PDBSupplier.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/PDBWriter.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/ProximityBonds.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/ProximityBonds.h
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/SDMolSupplier.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/SDWriter.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/SmilesMolSupplier.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/SmilesWriter.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/TDTMolSupplier.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/TDTWriter.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/TplFileParser.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/TplFileWriter.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/mol.py
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/test1.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/testMolSupplier.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/testMolWriter.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/testTpls.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FileParsers/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/FindRings.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Fingerprints/AtomPairs.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Fingerprints/AtomPairs.h
rdkit-Release_2014_03_1/Code/GraphMol/Fingerprints/Fingerprints.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Fingerprints/Fingerprints.h
rdkit-Release_2014_03_1/Code/GraphMol/Fingerprints/MACCS.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Fingerprints/MACCS.h
rdkit-Release_2014_03_1/Code/GraphMol/Fingerprints/PatternFingerprints.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Fingerprints/test1.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Fingerprints/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h
rdkit-Release_2014_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h
rdkit-Release_2014_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h
rdkit-Release_2014_03_1/Code/GraphMol/ForceFieldHelpers/UFF/Builder.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ForceFieldHelpers/UFF/Builder.h
rdkit-Release_2014_03_1/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ForceFieldHelpers/UFF/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ForceFieldHelpers/Wrap/testHelpers.py
rdkit-Release_2014_03_1/Code/GraphMol/ForceFieldHelpers/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/FragCatGenerator.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/FragCatGenerator.h
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/FragCatParams.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/FragCatParams.h
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/FragCatalogEntry.h
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/FragCatalogUtils.h
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/FragFPGenerator.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/FragFPGenerator.h
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/Wrap/FragCatGenerator.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/Wrap/FragCatParams.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/Wrap/FragFPGenerator.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/Wrap/rdfragcatalog.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/Wrap/rdfragcatalog.h
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/Wrap/rough_test.py
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/test1.cpp
rdkit-Release_2014_03_1/Code/GraphMol/FragCatalog/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/GraphMol.cpp
rdkit-Release_2014_03_1/Code/GraphMol/GraphMol.h
rdkit-Release_2014_03_1/Code/GraphMol/Kekulize.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Matrices.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolAlign/AlignMolecules.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolAlign/AlignMolecules.h
rdkit-Release_2014_03_1/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolAlign/O3AAlignMolecules.h
rdkit-Release_2014_03_1/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolAlign/Wrap/testMolAlign.py
rdkit-Release_2014_03_1/Code/GraphMol/MolAlign/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/MolAlign/testMolAlign.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolAlign/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/MolCatalog/MolCatalog.h
rdkit-Release_2014_03_1/Code/GraphMol/MolCatalog/MolCatalogEntry.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolCatalog/MolCatalogEntry.h
rdkit-Release_2014_03_1/Code/GraphMol/MolCatalog/MolCatalogParams.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolCatalog/MolCatalogParams.h
rdkit-Release_2014_03_1/Code/GraphMol/MolCatalog/Wrap/rdMolCatalog.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolCatalog/Wrap/rdMolCatalog.h
rdkit-Release_2014_03_1/Code/GraphMol/MolCatalog/Wrap/rough_test.py
rdkit-Release_2014_03_1/Code/GraphMol/MolCatalog/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/MolCatalog/test1.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolCatalog/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/MolChemicalFeatures/FeatureParser.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolChemicalFeatures/FeatureParser.h
rdkit-Release_2014_03_1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h
rdkit-Release_2014_03_1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h
rdkit-Release_2014_03_1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h
rdkit-Release_2014_03_1/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeature.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeatureFactory.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolChemicalFeatures/Wrap/rdMolChemicalFeatures.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolChemicalFeatures/Wrap/testChemicalFeatures.py
rdkit-Release_2014_03_1/Code/GraphMol/MolChemicalFeatures/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/MolChemicalFeatures/testFeatures.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolChemicalFeatures/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/MolDiscriminators.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolDrawing/DrawingToCairo.h
rdkit-Release_2014_03_1/Code/GraphMol/MolDrawing/MolDrawing.h
rdkit-Release_2014_03_1/Code/GraphMol/MolOps.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolOps.h
rdkit-Release_2014_03_1/Code/GraphMol/MolPickler.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolPickler.h
rdkit-Release_2014_03_1/Code/GraphMol/MolTransforms/MolTransforms.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolTransforms/MolTransforms.h
rdkit-Release_2014_03_1/Code/GraphMol/MolTransforms/Wrap/rdMolTransforms.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolTransforms/Wrap/testMolTransforms.py
rdkit-Release_2014_03_1/Code/GraphMol/MolTransforms/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/MolTransforms/test1.cpp
rdkit-Release_2014_03_1/Code/GraphMol/MolTransforms/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/MonomerInfo.h
rdkit-Release_2014_03_1/Code/GraphMol/PartialCharges/GasteigerCharges.cpp
rdkit-Release_2014_03_1/Code/GraphMol/PartialCharges/GasteigerCharges.h
rdkit-Release_2014_03_1/Code/GraphMol/PartialCharges/GasteigerParams.cpp
rdkit-Release_2014_03_1/Code/GraphMol/PartialCharges/GasteigerParams.h
rdkit-Release_2014_03_1/Code/GraphMol/PartialCharges/Wrap/rdPartialCharges.cpp
rdkit-Release_2014_03_1/Code/GraphMol/PartialCharges/Wrap/testPartialCharges.py
rdkit-Release_2014_03_1/Code/GraphMol/PartialCharges/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/PeriodicTable.cpp
rdkit-Release_2014_03_1/Code/GraphMol/PeriodicTable.h
rdkit-Release_2014_03_1/Code/GraphMol/QueryAtom.cpp
rdkit-Release_2014_03_1/Code/GraphMol/QueryAtom.h
rdkit-Release_2014_03_1/Code/GraphMol/QueryBond.cpp
rdkit-Release_2014_03_1/Code/GraphMol/QueryBond.h
rdkit-Release_2014_03_1/Code/GraphMol/QueryOps.cpp
rdkit-Release_2014_03_1/Code/GraphMol/QueryOps.h
rdkit-Release_2014_03_1/Code/GraphMol/RDKitBase.h
rdkit-Release_2014_03_1/Code/GraphMol/RDKitQueries.h
rdkit-Release_2014_03_1/Code/GraphMol/ROMol.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ROMol.h
rdkit-Release_2014_03_1/Code/GraphMol/RWMol.cpp
rdkit-Release_2014_03_1/Code/GraphMol/RWMol.h
rdkit-Release_2014_03_1/Code/GraphMol/RankAtoms.cpp
rdkit-Release_2014_03_1/Code/GraphMol/RankAtoms.h
rdkit-Release_2014_03_1/Code/GraphMol/Renumber.cpp
rdkit-Release_2014_03_1/Code/GraphMol/RingInfo.cpp
rdkit-Release_2014_03_1/Code/GraphMol/RingInfo.h
rdkit-Release_2014_03_1/Code/GraphMol/Rings.h
rdkit-Release_2014_03_1/Code/GraphMol/SLNParse/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/SLNParse/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/SanitException.h
rdkit-Release_2014_03_1/Code/GraphMol/ShapeHelpers/ShapeEncoder.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ShapeHelpers/ShapeEncoder.h
rdkit-Release_2014_03_1/Code/GraphMol/ShapeHelpers/ShapeUtils.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ShapeHelpers/ShapeUtils.h
rdkit-Release_2014_03_1/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ShapeHelpers/Wrap/testShapeHelpers.py
rdkit-Release_2014_03_1/Code/GraphMol/ShapeHelpers/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp
rdkit-Release_2014_03_1/Code/GraphMol/ShapeHelpers/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/SmilesParse/SmartsWrite.cpp
rdkit-Release_2014_03_1/Code/GraphMol/SmilesParse/SmartsWrite.h
rdkit-Release_2014_03_1/Code/GraphMol/SmilesParse/SmilesParse.cpp
rdkit-Release_2014_03_1/Code/GraphMol/SmilesParse/SmilesParse.h
rdkit-Release_2014_03_1/Code/GraphMol/SmilesParse/SmilesParseOps.cpp
rdkit-Release_2014_03_1/Code/GraphMol/SmilesParse/SmilesParseOps.h
rdkit-Release_2014_03_1/Code/GraphMol/SmilesParse/SmilesWrite.cpp
rdkit-Release_2014_03_1/Code/GraphMol/SmilesParse/SmilesWrite.h
rdkit-Release_2014_03_1/Code/GraphMol/SmilesParse/main.cpp
rdkit-Release_2014_03_1/Code/GraphMol/SmilesParse/primes.h
rdkit-Release_2014_03_1/Code/GraphMol/SmilesParse/runflex.sh
rdkit-Release_2014_03_1/Code/GraphMol/SmilesParse/smamain.cpp
rdkit-Release_2014_03_1/Code/GraphMol/SmilesParse/smatest.cpp
rdkit-Release_2014_03_1/Code/GraphMol/SmilesParse/test.cpp
rdkit-Release_2014_03_1/Code/GraphMol/SmilesParse/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/Subgraphs/SubgraphUtils.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Subgraphs/SubgraphUtils.h
rdkit-Release_2014_03_1/Code/GraphMol/Subgraphs/Subgraphs.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Subgraphs/Subgraphs.h
rdkit-Release_2014_03_1/Code/GraphMol/Subgraphs/test1.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Subgraphs/test2.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Subgraphs/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/Substruct/SubstructMatch.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Substruct/SubstructMatch.h
rdkit-Release_2014_03_1/Code/GraphMol/Substruct/SubstructUtils.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Substruct/SubstructUtils.h
rdkit-Release_2014_03_1/Code/GraphMol/Substruct/UnitTestSubstruct.py
rdkit-Release_2014_03_1/Code/GraphMol/Substruct/bench.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Substruct/cmd_match.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Substruct/test1.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Substruct/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/Substruct/ullmann.hpp
rdkit-Release_2014_03_1/Code/GraphMol/Substruct/vf2.hpp
rdkit-Release_2014_03_1/Code/GraphMol/UnitTestQueryMol.py
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/Atom.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/Bond.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/CompressedSDMolSupplier.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/Conformer.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/EditableMol.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/ForwardSDMolSupplier.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/Mol.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/MolOps.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/MolSupplier.h
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/MonomerInfo.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/PDBWriter.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/Queries.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/RingInfo.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/SDMolSupplier.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/SDWriter.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/SmilesMolSupplier.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/SmilesWriter.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/TDTMolSupplier.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/TDTWriter.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/Table.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/rdchem.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/rdchem.h
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/rdmolfiles.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/rdmolfiles.h
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/rdmolops.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/rdmolops.h
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/rdqueries.cpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/rough_test.py
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/seqs.hpp
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/testConformer.py
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/test_data/do_smiles.bomb.py
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/test_data/do_smiles.py
rdkit-Release_2014_03_1/Code/GraphMol/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/GraphMol/atomic_data.cpp
rdkit-Release_2014_03_1/Code/GraphMol/atomic_data.h
rdkit-Release_2014_03_1/Code/GraphMol/bulktest.cpp
rdkit-Release_2014_03_1/Code/GraphMol/cptest.cpp
rdkit-Release_2014_03_1/Code/GraphMol/itertest.cpp
rdkit-Release_2014_03_1/Code/GraphMol/molopstest.cpp
rdkit-Release_2014_03_1/Code/GraphMol/querytest.cpp
rdkit-Release_2014_03_1/Code/GraphMol/sanitTest.cpp
rdkit-Release_2014_03_1/Code/GraphMol/test1.cpp
rdkit-Release_2014_03_1/Code/GraphMol/testCanon.cpp
rdkit-Release_2014_03_1/Code/GraphMol/testChirality.cpp
rdkit-Release_2014_03_1/Code/GraphMol/testPickler.cpp
rdkit-Release_2014_03_1/Code/GraphMol/test_list.py
rdkit-Release_2014_03_1/Code/JavaWrappers/DiversityPick.h
rdkit-Release_2014_03_1/Code/JavaWrappers/GenericRDKitException.h
rdkit-Release_2014_03_1/Code/JavaWrappers/build_docs.sh
rdkit-Release_2014_03_1/Code/JavaWrappers/csharp_wrapper/Properties/AssemblyInfo.cs
rdkit-Release_2014_03_1/Code/JavaWrappers/csharp_wrapper/RDKitCSharpTest/Program.cs
rdkit-Release_2014_03_1/Code/JavaWrappers/csharp_wrapper/RDKitCSharpTest/Properties/AssemblyInfo.cs
rdkit-Release_2014_03_1/Code/JavaWrappers/csharp_wrapper/test.cs
rdkit-Release_2014_03_1/Code/JavaWrappers/make_templates.py
rdkit-Release_2014_03_1/Code/JavaWrappers/parse_doxy_html.py
rdkit-Release_2014_03_1/Code/ML/Cluster/Murtagh/Clustering.cpp
rdkit-Release_2014_03_1/Code/ML/Cluster/Murtagh/f2c.h
rdkit-Release_2014_03_1/Code/ML/Cluster/Murtagh/hc.c
rdkit-Release_2014_03_1/Code/ML/Cluster/Murtagh/hc.f
rdkit-Release_2014_03_1/Code/ML/Cluster/Murtagh/hcdriver.c
rdkit-Release_2014_03_1/Code/ML/Cluster/Murtagh/hcdriver.f
rdkit-Release_2014_03_1/Code/ML/Data/cQuantize.cpp
rdkit-Release_2014_03_1/Code/ML/InfoTheory/CorrMatGenerator.h
rdkit-Release_2014_03_1/Code/ML/InfoTheory/InfoBitRanker.cpp
rdkit-Release_2014_03_1/Code/ML/InfoTheory/InfoBitRanker.h
rdkit-Release_2014_03_1/Code/ML/InfoTheory/InfoGainFuncs.h
rdkit-Release_2014_03_1/Code/ML/InfoTheory/Wrap/BitCorrMatGenerator.cpp
rdkit-Release_2014_03_1/Code/ML/InfoTheory/Wrap/InfoBitRanker.cpp
rdkit-Release_2014_03_1/Code/ML/InfoTheory/Wrap/rdInfoTheory.cpp
rdkit-Release_2014_03_1/Code/ML/InfoTheory/Wrap/testRanker.py
rdkit-Release_2014_03_1/Code/ML/InfoTheory/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/ML/test_list.py
rdkit-Release_2014_03_1/Code/Numerics/Alignment/AlignPoints.cpp
rdkit-Release_2014_03_1/Code/Numerics/Alignment/AlignPoints.h
rdkit-Release_2014_03_1/Code/Numerics/Alignment/Wrap/rdAlignment.cpp
rdkit-Release_2014_03_1/Code/Numerics/Alignment/Wrap/testAlignment.py
rdkit-Release_2014_03_1/Code/Numerics/Alignment/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/Numerics/Alignment/testAlignment.cpp
rdkit-Release_2014_03_1/Code/Numerics/Alignment/test_list.py
rdkit-Release_2014_03_1/Code/Numerics/EigenSolvers/PowerEigenSolver.cpp
rdkit-Release_2014_03_1/Code/Numerics/EigenSolvers/PowerEigenSolver.h
rdkit-Release_2014_03_1/Code/Numerics/EigenSolvers/testEigenSolvers.cpp
rdkit-Release_2014_03_1/Code/Numerics/EigenSolvers/test_list.py
rdkit-Release_2014_03_1/Code/Numerics/Matrix.h
rdkit-Release_2014_03_1/Code/Numerics/Optimizer/BFGSOpt.cpp
rdkit-Release_2014_03_1/Code/Numerics/Optimizer/BFGSOpt.h
rdkit-Release_2014_03_1/Code/Numerics/Optimizer/LinearSearch.cpp
rdkit-Release_2014_03_1/Code/Numerics/Optimizer/testOptimizer.cpp
rdkit-Release_2014_03_1/Code/Numerics/Optimizer/test_list.py
rdkit-Release_2014_03_1/Code/Numerics/SquareMatrix.h
rdkit-Release_2014_03_1/Code/Numerics/SymmMatrix.h
rdkit-Release_2014_03_1/Code/Numerics/Vector.h
rdkit-Release_2014_03_1/Code/Numerics/testMatrices.cpp
rdkit-Release_2014_03_1/Code/Numerics/test_list.py
rdkit-Release_2014_03_1/Code/Query/AndQuery.h
rdkit-Release_2014_03_1/Code/Query/EqualityQuery.h
rdkit-Release_2014_03_1/Code/Query/GreaterEqualQuery.h
rdkit-Release_2014_03_1/Code/Query/GreaterQuery.h
rdkit-Release_2014_03_1/Code/Query/LessEqualQuery.h
rdkit-Release_2014_03_1/Code/Query/LessQuery.h
rdkit-Release_2014_03_1/Code/Query/OrQuery.h
rdkit-Release_2014_03_1/Code/Query/Query.h
rdkit-Release_2014_03_1/Code/Query/QueryObjects.h
rdkit-Release_2014_03_1/Code/Query/RangeQuery.h
rdkit-Release_2014_03_1/Code/Query/SetQuery.h
rdkit-Release_2014_03_1/Code/Query/XOrQuery.h
rdkit-Release_2014_03_1/Code/Query/test.cpp
rdkit-Release_2014_03_1/Code/Query/test_list.py
rdkit-Release_2014_03_1/Code/RDBoost/Exceptions.h
rdkit-Release_2014_03_1/Code/RDBoost/PySequenceHolder.h
rdkit-Release_2014_03_1/Code/RDBoost/Wrap.cpp
rdkit-Release_2014_03_1/Code/RDBoost/Wrap.h
rdkit-Release_2014_03_1/Code/RDBoost/Wrap/RDBase.cpp
rdkit-Release_2014_03_1/Code/RDBoost/list_indexing_suite.hpp
rdkit-Release_2014_03_1/Code/RDBoost/python_streambuf.h
rdkit-Release_2014_03_1/Code/RDGeneral/BadFileException.h
rdkit-Release_2014_03_1/Code/RDGeneral/Dict.cpp
rdkit-Release_2014_03_1/Code/RDGeneral/Dict.h
rdkit-Release_2014_03_1/Code/RDGeneral/FileParseException.h
rdkit-Release_2014_03_1/Code/RDGeneral/Invariant.cpp
rdkit-Release_2014_03_1/Code/RDGeneral/Invariant.h
rdkit-Release_2014_03_1/Code/RDGeneral/LocaleSwitcher.h
rdkit-Release_2014_03_1/Code/RDGeneral/RDLog.cpp
rdkit-Release_2014_03_1/Code/RDGeneral/RDLog.h
rdkit-Release_2014_03_1/Code/RDGeneral/StreamOps.h
rdkit-Release_2014_03_1/Code/RDGeneral/testDict.cpp
rdkit-Release_2014_03_1/Code/RDGeneral/test_list.py
rdkit-Release_2014_03_1/Code/RDGeneral/types.cpp
rdkit-Release_2014_03_1/Code/RDGeneral/types.h
rdkit-Release_2014_03_1/Code/RDGeneral/utils.cpp
rdkit-Release_2014_03_1/Code/RDGeneral/utils.h
rdkit-Release_2014_03_1/Code/SimDivPickers/DistPicker.cpp
rdkit-Release_2014_03_1/Code/SimDivPickers/DistPicker.h
rdkit-Release_2014_03_1/Code/SimDivPickers/HierarchicalClusterPicker.cpp
rdkit-Release_2014_03_1/Code/SimDivPickers/HierarchicalClusterPicker.h
rdkit-Release_2014_03_1/Code/SimDivPickers/MaxMinPicker.cpp
rdkit-Release_2014_03_1/Code/SimDivPickers/MaxMinPicker.h
rdkit-Release_2014_03_1/Code/SimDivPickers/Wrap/HierarchicalClusterPicker.cpp
rdkit-Release_2014_03_1/Code/SimDivPickers/Wrap/MaxMinPicker.cpp
rdkit-Release_2014_03_1/Code/SimDivPickers/Wrap/rdSimDivPickers.cpp
rdkit-Release_2014_03_1/Code/SimDivPickers/Wrap/testMaxMin.py
rdkit-Release_2014_03_1/Code/SimDivPickers/Wrap/testPickers.py
rdkit-Release_2014_03_1/Code/SimDivPickers/Wrap/test_list.py
rdkit-Release_2014_03_1/Code/test_list.py
rdkit-Release_2014_03_1/Contrib/ConformerParser/Wrap/testConformerParser.py
rdkit-Release_2014_03_1/Contrib/ConformerParser/Wrap/test_list.py
rdkit-Release_2014_03_1/Contrib/ConformerParser/test_list.py
rdkit-Release_2014_03_1/Contrib/M_Kossner/Frames.py
rdkit-Release_2014_03_1/Contrib/PBF/demo.cpp
rdkit-Release_2014_03_1/Contrib/SA_Score/UnitTestSAScore.py
rdkit-Release_2014_03_1/Contrib/SA_Score/sascorer.py
rdkit-Release_2014_03_1/Contrib/pzc/p_con.py
rdkit-Release_2014_03_1/Data/DTDs/RD_Dataset.dtd
rdkit-Release_2014_03_1/Data/DTDs/RD_Model.dtd
rdkit-Release_2014_03_1/Data/DTDs/validate.py
rdkit-Release_2014_03_1/Data/SmartsLib/tests/bench2.py
rdkit-Release_2014_03_1/Docs/Book/conf.py
rdkit-Release_2014_03_1/Docs/Book/exts/extapi.py
rdkit-Release_2014_03_1/External/AvalonTools/AvalonTools.cpp
rdkit-Release_2014_03_1/External/AvalonTools/AvalonTools.h
rdkit-Release_2014_03_1/External/AvalonTools/Wrap/pyAvalonTools.cpp
rdkit-Release_2014_03_1/External/AvalonTools/Wrap/testAvalonTools.py
rdkit-Release_2014_03_1/External/AvalonTools/Wrap/test_list.py
rdkit-Release_2014_03_1/External/AvalonTools/test1.cpp
rdkit-Release_2014_03_1/External/AvalonTools/test_list.py
rdkit-Release_2014_03_1/External/INCHI-API/test.cpp
rdkit-Release_2014_03_1/External/pymol/modules/pymol/rpc.py
rdkit-Release_2014_03_1/Projects/DbCLI/TestDbCLI.py
rdkit-Release_2014_03_1/Projects/DbCLI/test_list.py
rdkit-Release_2014_03_1/Projects/test_list.py
rdkit-Release_2014_03_1/Regress/Scripts/timings.py
rdkit-Release_2014_03_1/Scripts/AddIssue.py
rdkit-Release_2014_03_1/Scripts/MailResults.py
rdkit-Release_2014_03_1/Scripts/NightlyBuildAndTest.sh
rdkit-Release_2014_03_1/Web/RDExtras/MolDepict.py
rdkit-Release_2014_03_1/Web/RDExtras/MolImage.py
rdkit-Release_2014_03_1/rdkit/Chem/AllChem.py
rdkit-Release_2014_03_1/rdkit/Chem/AtomPairs/Pairs.py
rdkit-Release_2014_03_1/rdkit/Chem/AtomPairs/Torsions.py
rdkit-Release_2014_03_1/rdkit/Chem/AtomPairs/UnitTestDescriptors.py
rdkit-Release_2014_03_1/rdkit/Chem/AtomPairs/Utils.py
rdkit-Release_2014_03_1/rdkit/Chem/AtomPairs/test_list.py
rdkit-Release_2014_03_1/rdkit/Chem/BuildFragmentCatalog.py
rdkit-Release_2014_03_1/rdkit/Chem/ChemUtils/AlignDepict.py
rdkit-Release_2014_03_1/rdkit/Chem/ChemUtils/BulkTester.py
rdkit-Release_2014_03_1/rdkit/Chem/ChemUtils/SDFToCSV.py
rdkit-Release_2014_03_1/rdkit/Chem/ChemUtils/TemplateExpand.py
rdkit-Release_2014_03_1/rdkit/Chem/ChemUtils/test_list.py
rdkit-Release_2014_03_1/rdkit/Chem/ChemicalFeatures.py
rdkit-Release_2014_03_1/rdkit/Chem/ChemicalForceFields.py
rdkit-Release_2014_03_1/rdkit/Chem/Crippen.py
rdkit-Release_2014_03_1/rdkit/Chem/DSViewer.py
rdkit-Release_2014_03_1/rdkit/Chem/Descriptors.py
rdkit-Release_2014_03_1/rdkit/Chem/Draw/IPythonConsole.py
rdkit-Release_2014_03_1/rdkit/Chem/Draw/MolDrawing.py
rdkit-Release_2014_03_1/rdkit/Chem/Draw/UnitTestDraw.py
rdkit-Release_2014_03_1/rdkit/Chem/Draw/__init__.py
rdkit-Release_2014_03_1/rdkit/Chem/Draw/aggCanvas.py
rdkit-Release_2014_03_1/rdkit/Chem/Draw/cairoCanvas.py
rdkit-Release_2014_03_1/rdkit/Chem/Draw/canvasbase.py
rdkit-Release_2014_03_1/rdkit/Chem/Draw/mplCanvas.py
rdkit-Release_2014_03_1/rdkit/Chem/Draw/spingCanvas.py
rdkit-Release_2014_03_1/rdkit/Chem/Draw/test_list.py
rdkit-Release_2014_03_1/rdkit/Chem/EState/AtomTypes.py
rdkit-Release_2014_03_1/rdkit/Chem/EState/EState.py
rdkit-Release_2014_03_1/rdkit/Chem/EState/EState_VSA.py
rdkit-Release_2014_03_1/rdkit/Chem/EState/Fingerprinter.py
rdkit-Release_2014_03_1/rdkit/Chem/EState/UnitTestEState.py
rdkit-Release_2014_03_1/rdkit/Chem/EState/UnitTestFingerprints.py
rdkit-Release_2014_03_1/rdkit/Chem/EState/UnitTestTypes.py
rdkit-Release_2014_03_1/rdkit/Chem/EState/UnitTestVSA.py
rdkit-Release_2014_03_1/rdkit/Chem/EState/__init__.py
rdkit-Release_2014_03_1/rdkit/Chem/EState/test_list.py
rdkit-Release_2014_03_1/rdkit/Chem/FastSDMolSupplier.py
rdkit-Release_2014_03_1/rdkit/Chem/FeatFinderCLI.py
rdkit-Release_2014_03_1/rdkit/Chem/FeatMaps/FeatMapParser.py
rdkit-Release_2014_03_1/rdkit/Chem/FeatMaps/FeatMapPoint.py
rdkit-Release_2014_03_1/rdkit/Chem/FeatMaps/FeatMapUtils.py
rdkit-Release_2014_03_1/rdkit/Chem/FeatMaps/FeatMaps.py
rdkit-Release_2014_03_1/rdkit/Chem/FeatMaps/UnitTestFeatMap.py
rdkit-Release_2014_03_1/rdkit/Chem/FeatMaps/UnitTestFeatMapParser.py
rdkit-Release_2014_03_1/rdkit/Chem/FeatMaps/UnitTestFeatMapUtils.py
rdkit-Release_2014_03_1/rdkit/Chem/FeatMaps/test_list.py
rdkit-Release_2014_03_1/rdkit/Chem/Features/FeatDirUtilsRD.py
rdkit-Release_2014_03_1/rdkit/Chem/Features/ShowFeats.py
rdkit-Release_2014_03_1/rdkit/Chem/Fingerprints/ClusterMols.py
rdkit-Release_2014_03_1/rdkit/Chem/Fingerprints/DbFpSupplier.py
rdkit-Release_2014_03_1/rdkit/Chem/Fingerprints/FingerprintMols.py
rdkit-Release_2014_03_1/rdkit/Chem/Fingerprints/MolSimilarity.py
rdkit-Release_2014_03_1/rdkit/Chem/Fingerprints/SimilarityScreener.py
rdkit-Release_2014_03_1/rdkit/Chem/Fingerprints/UnitTestFingerprints.py
rdkit-Release_2014_03_1/rdkit/Chem/Fingerprints/UnitTestSimScreener.py
rdkit-Release_2014_03_1/rdkit/Chem/Fingerprints/__init__.py
rdkit-Release_2014_03_1/rdkit/Chem/Fingerprints/test_list.py
rdkit-Release_2014_03_1/rdkit/Chem/Fraggle/UnitTestFraggle.py
rdkit-Release_2014_03_1/rdkit/Chem/Fraggle/test_list.py
rdkit-Release_2014_03_1/rdkit/Chem/FragmentCatalog.py
rdkit-Release_2014_03_1/rdkit/Chem/FragmentMatcher.py
rdkit-Release_2014_03_1/rdkit/Chem/Fragments.py
rdkit-Release_2014_03_1/rdkit/Chem/GraphDescriptors.py
rdkit-Release_2014_03_1/rdkit/Chem/Graphs.py
rdkit-Release_2014_03_1/rdkit/Chem/Lipinski.py
rdkit-Release_2014_03_1/rdkit/Chem/MACCSkeys.py
rdkit-Release_2014_03_1/rdkit/Chem/MolCatalog.py
rdkit-Release_2014_03_1/rdkit/Chem/MolDb/FingerprintUtils.py
rdkit-Release_2014_03_1/rdkit/Chem/MolDb/Loader.py
rdkit-Release_2014_03_1/rdkit/Chem/MolDb/Loader_orig.py
rdkit-Release_2014_03_1/rdkit/Chem/MolDb/Loader_sa.py
rdkit-Release_2014_03_1/rdkit/Chem/MolSurf.py
rdkit-Release_2014_03_1/rdkit/Chem/PandasTools.py
rdkit-Release_2014_03_1/rdkit/Chem/PeriodicTable.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm2D/Generate.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm2D/Gobbi_Pharm2D.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm2D/LazyGenerator.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm2D/Matcher.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm2D/SigFactory.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm2D/UnitTestGobbi.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm2D/UnitTestLazyGenerator.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm2D/UnitTestMatcher.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm2D/UnitTestSignature.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm2D/UnitTestUtils.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm2D/Utils.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm2D/__init__.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm2D/test_list.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm3D/EmbedLib.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm3D/ExcludedVolume.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm3D/Pharmacophore.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm3D/UnitTestEmbed.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm3D/UnitTestPharmacophore.py
rdkit-Release_2014_03_1/rdkit/Chem/Pharm3D/test_list.py
rdkit-Release_2014_03_1/rdkit/Chem/PropertyMol.py
rdkit-Release_2014_03_1/rdkit/Chem/PyMol.py
rdkit-Release_2014_03_1/rdkit/Chem/Randomize.py
rdkit-Release_2014_03_1/rdkit/Chem/SATIS.py
rdkit-Release_2014_03_1/rdkit/Chem/Scaffolds/MurckoScaffold.py
rdkit-Release_2014_03_1/rdkit/Chem/Scaffolds/test_MurckoScaffold.py
rdkit-Release_2014_03_1/rdkit/Chem/Scaffolds/test_list.py
rdkit-Release_2014_03_1/rdkit/Chem/ShowMols.py
rdkit-Release_2014_03_1/rdkit/Chem/SimpleEnum/test_list.py
rdkit-Release_2014_03_1/rdkit/Chem/Subshape/BuilderUtils.py
rdkit-Release_2014_03_1/rdkit/Chem/Subshape/SubshapeAligner.py
rdkit-Release_2014_03_1/rdkit/Chem/Subshape/SubshapeBuilder.py
rdkit-Release_2014_03_1/rdkit/Chem/Subshape/SubshapeObjects.py
rdkit-Release_2014_03_1/rdkit/Chem/Subshape/UnitTestSubshape.py
rdkit-Release_2014_03_1/rdkit/Chem/Subshape/testCombined.py
rdkit-Release_2014_03_1/rdkit/Chem/Subshape/test_list.py
rdkit-Release_2014_03_1/rdkit/Chem/Suppliers/DbMolSupplier.py
rdkit-Release_2014_03_1/rdkit/Chem/Suppliers/MolSupplier.py
rdkit-Release_2014_03_1/rdkit/Chem/Suppliers/UnitTestSDMolSupplier.py
rdkit-Release_2014_03_1/rdkit/Chem/Suppliers/UnitTestSmilesMolSupplier.py
rdkit-Release_2014_03_1/rdkit/Chem/Suppliers/test_list.py
rdkit-Release_2014_03_1/rdkit/Chem/TemplateAlign.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestArom.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestCatalog.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestChem.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestChemAtom.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestChemBond.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestChemSmarts.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestChemv2.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestCrippen.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestDescriptors.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestFragmentDescriptors.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestGraphDescriptors.2.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestLipinski.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestMCS.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestOldBugs.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestSATIS.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestSmiles.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestSuppliers.py
rdkit-Release_2014_03_1/rdkit/Chem/UnitTestSurf.py
rdkit-Release_2014_03_1/rdkit/Chem/__init__.py
rdkit-Release_2014_03_1/rdkit/Chem/fmcs/__init__.py
rdkit-Release_2014_03_1/rdkit/Chem/test_data/BuildCrippenTestSet.py
rdkit-Release_2014_03_1/rdkit/Chem/test_data/BuildDescrsTestSet.Crippen.py
rdkit-Release_2014_03_1/rdkit/Chem/test_data/BuildDescrsTestSet.py
rdkit-Release_2014_03_1/rdkit/Chem/test_list.py
rdkit-Release_2014_03_1/rdkit/DataManip/Metric/__init__.py
rdkit-Release_2014_03_1/rdkit/DataManip/__init__.py
rdkit-Release_2014_03_1/rdkit/DataStructs/BitEnsemble.py
rdkit-Release_2014_03_1/rdkit/DataStructs/BitEnsembleDb.py
rdkit-Release_2014_03_1/rdkit/DataStructs/BitUtils.py
rdkit-Release_2014_03_1/rdkit/DataStructs/BitVect.py
rdkit-Release_2014_03_1/rdkit/DataStructs/HierarchyVis.py
rdkit-Release_2014_03_1/rdkit/DataStructs/LazySignature.py
rdkit-Release_2014_03_1/rdkit/DataStructs/SparseIntVect.py
rdkit-Release_2014_03_1/rdkit/DataStructs/TopNContainer.py
rdkit-Release_2014_03_1/rdkit/DataStructs/UnitTestBitEnsemble.py
rdkit-Release_2014_03_1/rdkit/DataStructs/UnitTestBitVect.py
rdkit-Release_2014_03_1/rdkit/DataStructs/UnitTestTopNContainer.py
rdkit-Release_2014_03_1/rdkit/DataStructs/UnitTestcBitVect.py
rdkit-Release_2014_03_1/rdkit/DataStructs/UnitTestcBitVect2.py
rdkit-Release_2014_03_1/rdkit/DataStructs/VectCollection.py
rdkit-Release_2014_03_1/rdkit/DataStructs/__init__.py
rdkit-Release_2014_03_1/rdkit/DataStructs/test_list.py
rdkit-Release_2014_03_1/rdkit/Dbase/DbConnection.py
rdkit-Release_2014_03_1/rdkit/Dbase/DbInfo.py
rdkit-Release_2014_03_1/rdkit/Dbase/DbModule.py
rdkit-Release_2014_03_1/rdkit/Dbase/DbReport.py
rdkit-Release_2014_03_1/rdkit/Dbase/DbResultSet.py
rdkit-Release_2014_03_1/rdkit/Dbase/DbUtils.py
rdkit-Release_2014_03_1/rdkit/Dbase/Pubmed/PubmedUtils.py
rdkit-Release_2014_03_1/rdkit/Dbase/Pubmed/QueryParams.py
rdkit-Release_2014_03_1/rdkit/Dbase/Pubmed/Records.py
rdkit-Release_2014_03_1/rdkit/Dbase/Pubmed/Searches.py
rdkit-Release_2014_03_1/rdkit/Dbase/Pubmed/test_list.py
rdkit-Release_2014_03_1/rdkit/Dbase/StorageUtils.py
rdkit-Release_2014_03_1/rdkit/Dbase/UnitTestDbConnect.py
rdkit-Release_2014_03_1/rdkit/Dbase/UnitTestDbResultSet.py
rdkit-Release_2014_03_1/rdkit/Dbase/UnitTestDbUtils.py
rdkit-Release_2014_03_1/rdkit/Dbase/__init__.py
rdkit-Release_2014_03_1/rdkit/Dbase/test_list.py
rdkit-Release_2014_03_1/rdkit/DistanceGeometry/__init__.py
rdkit-Release_2014_03_1/rdkit/ForceField/__init__.py
rdkit-Release_2014_03_1/rdkit/Geometry/__init__.py
rdkit-Release_2014_03_1/rdkit/Logger/Logger.py
rdkit-Release_2014_03_1/rdkit/Logger/SpingDemo.py
rdkit-Release_2014_03_1/rdkit/Logger/UnitTestLogger.py
rdkit-Release_2014_03_1/rdkit/Logger/demo.py
rdkit-Release_2014_03_1/rdkit/Logger/test_list.py
rdkit-Release_2014_03_1/rdkit/ML/AnalyzeComposite.py
rdkit-Release_2014_03_1/rdkit/ML/BuildComposite.py
rdkit-Release_2014_03_1/rdkit/ML/Cluster/Butina.py
rdkit-Release_2014_03_1/rdkit/ML/Cluster/ClusterUtils.py
rdkit-Release_2014_03_1/rdkit/ML/Cluster/ClusterVis.py
rdkit-Release_2014_03_1/rdkit/ML/Cluster/Clusters.py
rdkit-Release_2014_03_1/rdkit/ML/Cluster/Murtagh.py
rdkit-Release_2014_03_1/rdkit/ML/Cluster/Resemblance.py
rdkit-Release_2014_03_1/rdkit/ML/Cluster/Standardize.py
rdkit-Release_2014_03_1/rdkit/ML/Cluster/UnitTestButina.py
rdkit-Release_2014_03_1/rdkit/ML/Cluster/UnitTestCluster.py
rdkit-Release_2014_03_1/rdkit/ML/Cluster/murtagh_test.py
rdkit-Release_2014_03_1/rdkit/ML/Cluster/test_list.py
rdkit-Release_2014_03_1/rdkit/ML/Composite/AdjustComposite.py
rdkit-Release_2014_03_1/rdkit/ML/Composite/BayesComposite.py
rdkit-Release_2014_03_1/rdkit/ML/Composite/Composite.py
rdkit-Release_2014_03_1/rdkit/ML/Composite/UnitTestCOMServer.py
rdkit-Release_2014_03_1/rdkit/ML/Composite/UnitTestComposite.py
rdkit-Release_2014_03_1/rdkit/ML/Composite/test_list.py
rdkit-Release_2014_03_1/rdkit/ML/CompositeRun.py
rdkit-Release_2014_03_1/rdkit/ML/Data/DataUtils.py
rdkit-Release_2014_03_1/rdkit/ML/Data/FindQuantBounds.py
rdkit-Release_2014_03_1/rdkit/ML/Data/MLData.py
rdkit-Release_2014_03_1/rdkit/ML/Data/Quantize.py
rdkit-Release_2014_03_1/rdkit/ML/Data/SplitData.py
rdkit-Release_2014_03_1/rdkit/ML/Data/Stats.py
rdkit-Release_2014_03_1/rdkit/ML/Data/Transforms.py
rdkit-Release_2014_03_1/rdkit/ML/Data/UnitTestFilter.py
rdkit-Release_2014_03_1/rdkit/ML/Data/UnitTestMLData.py
rdkit-Release_2014_03_1/rdkit/ML/Data/UnitTestQuantize.py
rdkit-Release_2014_03_1/rdkit/ML/Data/UnitTestStats.py
rdkit-Release_2014_03_1/rdkit/ML/Data/test_data/populate.py
rdkit-Release_2014_03_1/rdkit/ML/Data/test_list.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/BuildQuantTree.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/BuildSigTree.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/CrossValidate.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/DecTree.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/Forest.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/ID3.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/PruneTree.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/QuantTree.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/SigTree.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/Tree.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/TreeUtils.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/TreeVis.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/UnitTestID3.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/UnitTestPrune.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/UnitTestQuantTree.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/UnitTestSigTree.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/UnitTestTree.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/UnitTestXVal.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/__init__.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/randomtest.py
rdkit-Release_2014_03_1/rdkit/ML/DecTree/test_list.py
rdkit-Release_2014_03_1/rdkit/ML/Descriptors/CompoundDescriptors.py
rdkit-Release_2014_03_1/rdkit/ML/Descriptors/Descriptors.py
rdkit-Release_2014_03_1/rdkit/ML/Descriptors/MoleculeDescriptors.py
rdkit-Release_2014_03_1/rdkit/ML/Descriptors/Parser.py
rdkit-Release_2014_03_1/rdkit/ML/Descriptors/UnitTestCOMServer.py
rdkit-Release_2014_03_1/rdkit/ML/Descriptors/UnitTestDescriptors.py
rdkit-Release_2014_03_1/rdkit/ML/Descriptors/UnitTestMolDescriptors.py
rdkit-Release_2014_03_1/rdkit/ML/Descriptors/UnitTestParser.py
rdkit-Release_2014_03_1/rdkit/ML/Descriptors/test_list.py
rdkit-Release_2014_03_1/rdkit/ML/EnrichPlot.py
rdkit-Release_2014_03_1/rdkit/ML/GrowComposite.py
rdkit-Release_2014_03_1/rdkit/ML/InfoTheory/BitClusterer.py
rdkit-Release_2014_03_1/rdkit/ML/InfoTheory/BitRank.py
rdkit-Release_2014_03_1/rdkit/ML/InfoTheory/__init__.py
rdkit-Release_2014_03_1/rdkit/ML/InfoTheory/entropy.py
rdkit-Release_2014_03_1/rdkit/ML/InfoTheory/testBitRanker.py
rdkit-Release_2014_03_1/rdkit/ML/InfoTheory/testCorrMatGen.py
rdkit-Release_2014_03_1/rdkit/ML/InfoTheory/test_list.py
rdkit-Release_2014_03_1/rdkit/ML/KNN/CrossValidate.py
rdkit-Release_2014_03_1/rdkit/ML/KNN/DistFunctions.py
rdkit-Release_2014_03_1/rdkit/ML/KNN/KNNClassificationModel.py
rdkit-Release_2014_03_1/rdkit/ML/KNN/KNNModel.py
rdkit-Release_2014_03_1/rdkit/ML/KNN/KNNRegressionModel.py
rdkit-Release_2014_03_1/rdkit/ML/KNN/UnitTestKNN.py
rdkit-Release_2014_03_1/rdkit/ML/KNN/__init__.py
rdkit-Release_2014_03_1/rdkit/ML/KNN/test_list.py
rdkit-Release_2014_03_1/rdkit/ML/MLUtils/VoteImg.py
rdkit-Release_2014_03_1/rdkit/ML/MatOps.py
rdkit-Release_2014_03_1/rdkit/ML/ModelPackage/PackageUtils.py
rdkit-Release_2014_03_1/rdkit/ML/ModelPackage/Packager.py
rdkit-Release_2014_03_1/rdkit/ML/ModelPackage/UnitTestPackage.py
rdkit-Release_2014_03_1/rdkit/ML/ModelPackage/test_list.py
rdkit-Release_2014_03_1/rdkit/ML/NaiveBayes/ClassificationModel.py
rdkit-Release_2014_03_1/rdkit/ML/NaiveBayes/CrossValidate.py
rdkit-Release_2014_03_1/rdkit/ML/NaiveBayes/UnitTestNB.py
rdkit-Release_2014_03_1/rdkit/ML/NaiveBayes/__init__.py
rdkit-Release_2014_03_1/rdkit/ML/NaiveBayes/test_list.py
rdkit-Release_2014_03_1/rdkit/ML/Neural/ActFuncs.py
rdkit-Release_2014_03_1/rdkit/ML/Neural/CrossValidate.py
rdkit-Release_2014_03_1/rdkit/ML/Neural/NetNode.py
rdkit-Release_2014_03_1/rdkit/ML/Neural/Network.py
rdkit-Release_2014_03_1/rdkit/ML/Neural/Trainers.py
rdkit-Release_2014_03_1/rdkit/ML/Neural/UnitTestTrainer.py
rdkit-Release_2014_03_1/rdkit/ML/Neural/test_list.py
rdkit-Release_2014_03_1/rdkit/ML/SLT/Risk.py
rdkit-Release_2014_03_1/rdkit/ML/SLT/UnitTestRisk.py
rdkit-Release_2014_03_1/rdkit/ML/SLT/test_list.py
rdkit-Release_2014_03_1/rdkit/ML/Scoring/Scoring.py
rdkit-Release_2014_03_1/rdkit/ML/Scoring/test_list.py
rdkit-Release_2014_03_1/rdkit/ML/ScreenComposite.py
rdkit-Release_2014_03_1/rdkit/ML/UnitTestAnalyzeComposite.py
rdkit-Release_2014_03_1/rdkit/ML/UnitTestBuildComposite.py
rdkit-Release_2014_03_1/rdkit/ML/UnitTestScreenComposite.py
rdkit-Release_2014_03_1/rdkit/ML/__init__.py
rdkit-Release_2014_03_1/rdkit/ML/files.py
rdkit-Release_2014_03_1/rdkit/ML/test_data/populate.py
rdkit-Release_2014_03_1/rdkit/ML/test_list.py
rdkit-Release_2014_03_1/rdkit/Numerics/__init__.py
rdkit-Release_2014_03_1/rdkit/RDConfig.py
rdkit-Release_2014_03_1/rdkit/RDLogger.py
rdkit-Release_2014_03_1/rdkit/RDRandom.py
rdkit-Release_2014_03_1/rdkit/SimDivFilters/SimilarityPickers.py
rdkit-Release_2014_03_1/rdkit/SimDivFilters/__init__.py
rdkit-Release_2014_03_1/rdkit/SimDivFilters/test_data/genfps.py
rdkit-Release_2014_03_1/rdkit/SimDivFilters/test_list.py
rdkit-Release_2014_03_1/rdkit/TestRunner.py
rdkit-Release_2014_03_1/rdkit/VLib/Filter.py
rdkit-Release_2014_03_1/rdkit/VLib/Node.py
rdkit-Release_2014_03_1/rdkit/VLib/NodeLib/DbMolSupply.py
rdkit-Release_2014_03_1/rdkit/VLib/NodeLib/DbPickleSupplier.py
rdkit-Release_2014_03_1/rdkit/VLib/NodeLib/SDSupply.py
rdkit-Release_2014_03_1/rdkit/VLib/NodeLib/SmartsMolFilter.py
rdkit-Release_2014_03_1/rdkit/VLib/NodeLib/SmartsRemover.py
rdkit-Release_2014_03_1/rdkit/VLib/NodeLib/SmilesDupeFilter.py
rdkit-Release_2014_03_1/rdkit/VLib/NodeLib/SmilesOutput.py
rdkit-Release_2014_03_1/rdkit/VLib/NodeLib/SmilesSupply.py
rdkit-Release_2014_03_1/rdkit/VLib/NodeLib/__init__.py
rdkit-Release_2014_03_1/rdkit/VLib/NodeLib/demo.py
rdkit-Release_2014_03_1/rdkit/VLib/NodeLib/test_list.py
rdkit-Release_2014_03_1/rdkit/VLib/Output.py
rdkit-Release_2014_03_1/rdkit/VLib/Supply.py
rdkit-Release_2014_03_1/rdkit/VLib/Transform.py
rdkit-Release_2014_03_1/rdkit/VLib/__init__.py
rdkit-Release_2014_03_1/rdkit/VLib/test_list.py
rdkit-Release_2014_03_1/rdkit/test_list.py
rdkit-Release_2014_03_1/rdkit/utils/GUIDs.py
rdkit-Release_2014_03_1/rdkit/utils/GenLicense.py
rdkit-Release_2014_03_1/rdkit/utils/Licensing.py
rdkit-Release_2014_03_1/rdkit/utils/PiddleTools.py
rdkit-Release_2014_03_1/rdkit/utils/PilTools.py
rdkit-Release_2014_03_1/rdkit/utils/REFile.py
rdkit-Release_2014_03_1/rdkit/utils/SliceTools.py
rdkit-Release_2014_03_1/rdkit/utils/cactvs.py
rdkit-Release_2014_03_1/rdkit/utils/chemdraw.py
rdkit-Release_2014_03_1/rdkit/utils/chemdraw_qax.py
rdkit-Release_2014_03_1/rdkit/utils/chemutils.py
rdkit-Release_2014_03_1/rdkit/utils/comhack.py
rdkit-Release_2014_03_1/rdkit/utils/fileutils.py
rdkit-Release_2014_03_1/rdkit/utils/listutils.py
rdkit-Release_2014_03_1/rdkit/utils/spiral.py
[x]: License file installed when any subpackage combination is installed.
[!]: Package requires other packages for directories it uses.
Note: No known owner of /usr/share/RDKit
[!]: Package must own all directories that it creates.
Note: Directories without known owners: /usr/share/RDKit
[x]: %build honors applicable compiler flags or justifies otherwise.
[x]: Package contains no bundled libraries without FPC exception.
[x]: Changelog in prescribed format.
[x]: Sources contain only permissible code or content.
[-]: Package contains desktop file if it is a GUI application.
[x]: Development files must be in a -devel package
[x]: Package uses nothing in %doc for runtime.
[x]: Package consistently uses macros (instead of hard-coded directory names).
[x]: Package is named according to the Package Naming Guidelines.
[x]: Package does not generate any conflict.
[x]: Package obeys FHS, except libexecdir and /usr/target.
[-]: If the package is a rename of another package, proper Obsoletes and
Provides are present.
[x]: Requires correct, justified where necessary.
[x]: Spec file is legible and written in American English.
[-]: Package contains systemd file(s) if in need.
[x]: Useful -debuginfo package or justification otherwise.
[x]: Package is not known to require an ExcludeArch tag.
[x]: Large documentation must go in a -doc subpackage. Large could be size
(~1MB) or number of files.
Note: Documentation size is 122880 bytes in 3 files.
[x]: Package complies to the Packaging Guidelines
[x]: Package successfully compiles and builds into binary rpms on at least one
supported primary architecture.
[x]: Package installs properly.
[x]: Rpmlint is run on all rpms the build produces.
Note: There are rpmlint messages (see attachment).
[x]: If (and only if) the source package includes the text of the license(s)
in its own file, then that file, containing the text of the license(s)
for the package is included in %doc.
[x]: Package does not own files or directories owned by other packages.
[x]: All build dependencies are listed in BuildRequires, except for any that
are listed in the exceptions section of Packaging Guidelines.
[x]: Package uses either %{buildroot} or $RPM_BUILD_ROOT
[x]: Package does not run rm -rf %{buildroot} (or $RPM_BUILD_ROOT) at the
beginning of %install.
[x]: Macros in Summary, %description expandable at SRPM build time.
[x]: Package does not contain duplicates in %files.
[x]: Permissions on files are set properly.
[x]: Package use %makeinstall only when make install' ' DESTDIR=... doesn't
work.
[x]: Package is named using only allowed ASCII characters.
[x]: Package do not use a name that already exist
[x]: Package is not relocatable.
[x]: Sources used to build the package match the upstream source, as provided
in the spec URL.
[x]: Spec file name must match the spec package %{name}, in the format
%{name}.spec.
[x]: File names are valid UTF-8.
[x]: Packages must not store files under /srv, /opt or /usr/local
Python:
[x]: Python eggs must not download any dependencies during the build process.
[-]: A package which is used by another package via an egg interface should
provide egg info.
[x]: Package meets the Packaging Guidelines::Python
[x]: Package contains BR: python2-devel or python3-devel
[x]: Binary eggs must be removed in %prep
===== SHOULD items =====
Generic:
[!]: Uses parallel make %{?_smp_mflags} macro.
[?]: Avoid bundling fonts in non-fonts packages.
Note: Package contains font files
[x]: If the source package does not include license text(s) as a separate file
from upstream, the packager SHOULD query upstream to include it.
[x]: Final provides and requires are sane (see attachments).
[x]: Fully versioned dependency in subpackages if applicable.
Note: No Requires: %{name}%{?_isa} = %{version}-%{release} in rdkit-doc ,
rdkit-extras
[x]: Package functions as described.
[x]: Latest version is packaged.
[x]: Package does not include license text files separate from upstream.
[x]: Patches link to upstream bugs/comments/lists or are otherwise justified.
[x]: Scriptlets must be sane, if used.
[x]: Description and summary sections in the package spec file contains
translations for supported Non-English languages, if available.
[x]: Package should compile and build into binary rpms on all supported
architectures.
[x]: %check is present and all tests pass.
[x]: Packages should try to preserve timestamps of original installed files.
[x]: Packager, Vendor, PreReq, Copyright tags should not be in spec file
[x]: Sources can be downloaded from URI in Source: tag
[x]: Reviewer should test that the package builds in mock.
[x]: Buildroot is not present
[x]: Package has no %clean section with rm -rf %{buildroot} (or
$RPM_BUILD_ROOT)
[x]: Dist tag is present (not strictly required in GL).
[x]: No file requires outside of /etc, /bin, /sbin, /usr/bin, /usr/sbin.
[x]: SourceX is a working URL.
[x]: Spec use %global instead of %define unless justified.
===== EXTRA items =====
Generic:
[x]: Rpmlint is run on all installed packages.
Note: There are rpmlint messages (see attachment).
[x]: Large data in /usr/share should live in a noarch subpackage if package is
arched.
Rpmlint
-------
Checking: rdkit-2014.03.1-1.fc21.i686.rpm
rdkit-devel-2014.03.1-1.fc21.i686.rpm
rdkit-doc-2014.03.1-1.fc21.noarch.rpm
rdkit-extras-2014.03.1-1.fc21.noarch.rpm
python-rdkit-2014.03.1-1.fc21.i686.rpm
rdkit-postgresql-2014.03.1-1.fc21.i686.rpm
rdkit-2014.03.1-1.fc21.src.rpm
rdkit.i686: W: spelling-error Summary(en_US) informatics -> information,
informative, informants
rdkit.i686: W: spelling-error %description -l en_US informatics -> information,
informative, informants
rdkit.i686: W: shared-lib-calls-exit /usr/lib/libSLNParse.so.1.2014.03.1
exit(a)GLIBC_2.0
rdkit.i686: W: shared-lib-calls-exit /usr/lib/libSmilesParse.so.1.2014.03.1
exit(a)GLIBC_2.0
rdkit-devel.i686: W: no-documentation
rdkit-doc.noarch: W: no-documentation
rdkit-extras.noarch: W: no-documentation
rdkit-extras.noarch: W: devel-file-in-non-devel-package
/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.h
rdkit-extras.noarch: W: devel-file-in-non-devel-package
/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.cpp
rdkit-extras.noarch: W: devel-file-in-non-devel-package
/usr/share/RDKit/Contrib/PBF/PBFRDKit.h
rdkit-extras.noarch: E: non-executable-script
/usr/share/RDKit/Contrib/fraggle/cxn_tversky.py 0644L /usr/bin/env
rdkit-extras.noarch: W: devel-file-in-non-devel-package
/usr/share/RDKit/Contrib/ConformerParser/test.cpp
rdkit-extras.noarch: W: devel-file-in-non-devel-package
/usr/share/RDKit/Contrib/ConformerParser/Wrap/rdConformerParser.cpp
rdkit-extras.noarch: W: devel-file-in-non-devel-package
/usr/share/RDKit/Contrib/PBF/demo.cpp
rdkit-extras.noarch: W: devel-file-in-non-devel-package
/usr/share/RDKit/Contrib/PBF/PBFRDKit.cpp
python-rdkit.i686: W: no-documentation
python-rdkit.i686: E: non-executable-script
/usr/lib/python2.7/site-packages/rdkit/Chem/fmcs/fmcs.py 0644L /usr/bin/env
python-rdkit.i686: E: non-executable-script
/usr/lib/python2.7/site-packages/rdkit/Chem/fmcs/fmcs 0644L /usr/bin/env
rdkit-postgresql.i686: W: spelling-error %description -l en_US mol -> mewl,
mil, mo
rdkit-postgresql.i686: W: spelling-error %description -l en_US datatype -> data
type, data-type, database
rdkit-postgresql.i686: W: spelling-error %description -l en_US fp -> pf, f, p
rdkit-postgresql.i686: W: spelling-error %description -l en_US tanimoto ->
animator
rdkit.src: W: spelling-error Summary(en_US) informatics -> information,
informative, informants
rdkit.src: W: spelling-error %description -l en_US informatics -> information,
informative, informants
rdkit.src: W: patch-not-applied Patch3: rdkit-2013.03-exclude_cmim.patch
7 packages and 0 specfiles checked; 3 errors, 22 warnings.
Rpmlint (installed packages)
----------------------------
# rpmlint rdkit rdkit-devel rdkit-postgresql rdkit-extras python-rdk
it rdkit-doc
rdkit.i686: W: spelling-error Summary(en_US) informatics -> information,
informative, informants
rdkit.i686: W: spelling-error %description -l en_US informatics -> information,
informative, informants
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libOptimizer.so.1.2014.03.1 /lib/libRDGeometryLib.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libOptimizer.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libOptimizer.so.1.2014.03.1 /lib/libRDGeneral.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libOptimizer.so.1.2014.03.1 /lib/libm.so.6
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libOptimizer.so.1.2014.03.1 /lib/libgcc_s.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libFragCatalog.so.1.2014.03.1 /lib/libRDGeometryLib.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libFragCatalog.so.1.2014.03.1 /lib/libm.so.6
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libShapeHelpers.so.1.2014.03.1 /lib/libEigenSolvers.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libMolTransforms.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libChemTransforms.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libAlignment.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libForceFieldHelpers.so.1.2014.03.1 /lib/libOptimizer.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libForceFieldHelpers.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libChemReactions.so.1.2014.03.1 /lib/libRDGeometryLib.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libChemReactions.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libCatalogs.so.1.2014.03.1 /lib/libRDGeneral.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libCatalogs.so.1.2014.03.1 /lib/libm.so.6
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libCatalogs.so.1.2014.03.1 /lib/libgcc_s.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libForceField.so.1.2014.03.1 /lib/libOptimizer.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libForceField.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libSLNParse.so.1.2014.03.1 /lib/libRDGeometryLib.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libSLNParse.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libSLNParse.so.1.2014.03.1 /lib/libm.so.6
rdkit.i686: W: shared-lib-calls-exit /usr/lib/libSLNParse.so.1.2014.03.1
exit(a)GLIBC_2.0
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libGraphMol.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libSubstructMatch.so.1.2014.03.1 /lib/libRDGeometryLib.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libSubstructMatch.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libSubstructMatch.so.1.2014.03.1 /lib/libm.so.6
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libDescriptors.so.1.2014.03.1 /lib/libFileParsers.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libDescriptors.so.1.2014.03.1 /lib/libRDGeometryLib.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libDescriptors.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libRDInchiLib.so.1.2014.03.1 /lib/libDepictor.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libRDInchiLib.so.1.2014.03.1 /lib/libRDGeometryLib.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libRDInchiLib.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libDistGeometry.so.1.2014.03.1 /lib/libOptimizer.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libDistGeometry.so.1.2014.03.1 /lib/libRDGeometryLib.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libDistGeometry.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libMolChemicalFeatures.so.1.2014.03.1 /lib/libRDGeometryLib.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libMolChemicalFeatures.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libDistGeomHelpers.so.1.2014.03.1 /lib/libSmilesParse.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libDistGeomHelpers.so.1.2014.03.1 /lib/libSubstructMatch.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libDistGeomHelpers.so.1.2014.03.1 /lib/libOptimizer.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libDistGeomHelpers.so.1.2014.03.1 /lib/libEigenSolvers.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libDistGeomHelpers.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libRDGeneral.so.1.2014.03.1 /lib/libm.so.6
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libFingerprints.so.1.2014.03.1 /lib/libRDGeometryLib.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libFingerprints.so.1.2014.03.1 /lib/libm.so.6
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libChemicalFeatures.so.1.2014.03.1 /lib/libm.so.6
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libRDBoost.so.1.2014.03.1 /lib/libm.so.6
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libDepictor.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libPartialCharges.so.1.2014.03.1 /lib/libRDGeometryLib.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libPartialCharges.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libPartialCharges.so.1.2014.03.1 /lib/libm.so.6
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libSmilesParse.so.1.2014.03.1 /lib/libRDGeometryLib.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libSmilesParse.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libSmilesParse.so.1.2014.03.1 /lib/libm.so.6
rdkit.i686: W: shared-lib-calls-exit /usr/lib/libSmilesParse.so.1.2014.03.1
exit(a)GLIBC_2.0
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libMolAlign.so.1.2014.03.1 /lib/libEigenSolvers.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libMolAlign.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libFileParsers.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libSubgraphs.so.1.2014.03.1 /lib/libRDGeometryLib.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libSubgraphs.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libSimDivPickers.so.1.2014.03.1 /lib/libm.so.6
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libMolCatalog.so.1.2014.03.1 /lib/libRDGeometryLib.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libMolCatalog.so.1.2014.03.1 /lib/libDataStructs.so.1
rdkit.i686: W: unused-direct-shlib-dependency
/usr/lib/libMolCatalog.so.1.2014.03.1 /lib/libm.so.6
rdkit-devel.i686: W: no-documentation
rdkit-postgresql.i686: W: spelling-error %description -l en_US mol -> mewl,
mil, mo
rdkit-postgresql.i686: W: spelling-error %description -l en_US datatype -> data
type, data-type, database
rdkit-postgresql.i686: W: spelling-error %description -l en_US fp -> pf, f, p
rdkit-postgresql.i686: W: spelling-error %description -l en_US tanimoto ->
animator
rdkit-extras.noarch: W: no-documentation
rdkit-extras.noarch: W: devel-file-in-non-devel-package
/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.h
rdkit-extras.noarch: W: devel-file-in-non-devel-package
/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.cpp
rdkit-extras.noarch: W: devel-file-in-non-devel-package
/usr/share/RDKit/Contrib/PBF/PBFRDKit.h
rdkit-extras.noarch: E: non-executable-script
/usr/share/RDKit/Contrib/fraggle/cxn_tversky.py 0644L /usr/bin/env
rdkit-extras.noarch: W: devel-file-in-non-devel-package
/usr/share/RDKit/Contrib/ConformerParser/test.cpp
rdkit-extras.noarch: W: devel-file-in-non-devel-package
/usr/share/RDKit/Contrib/ConformerParser/Wrap/rdConformerParser.cpp
rdkit-extras.noarch: W: devel-file-in-non-devel-package
/usr/share/RDKit/Contrib/PBF/demo.cpp
rdkit-extras.noarch: W: devel-file-in-non-devel-package
/usr/share/RDKit/Contrib/PBF/PBFRDKit.cpp
python-rdkit.i686: W: no-documentation
python-rdkit.i686: E: non-executable-script
/usr/lib/python2.7/site-packages/rdkit/Chem/fmcs/fmcs.py 0644L /usr/bin/env
python-rdkit.i686: E: non-executable-script
/usr/lib/python2.7/site-packages/rdkit/Chem/fmcs/fmcs 0644L /usr/bin/env
rdkit-doc.noarch: W: no-documentation
6 packages and 0 specfiles checked; 3 errors, 83 warnings.
# echo 'rpmlint-done:'
Requires
--------
rdkit (rpmlib, GLIBC filtered):
/sbin/ldconfig
libAlignment.so.1
libCatalogs.so.1
libChemTransforms.so.1
libDataStructs.so.1
libDepictor.so.1
libDistGeometry.so.1
libEigenSolvers.so.1
libFileParsers.so.1
libForceField.so.1
libForceFieldHelpers.so.1
libGraphMol.so.1
libMolTransforms.so.1
libOptimizer.so.1
libPartialCharges.so.1
libRDGeneral.so.1
libRDGeometryLib.so.1
libSmilesParse.so.1
libSubgraphs.so.1
libSubstructMatch.so.1
libboost_python.so.1.55.0
libboost_regex.so.1.55.0
libc.so.6
libgcc_s.so.1
libgcc_s.so.1(GCC_3.0)
libgcc_s.so.1(GCC_4.0.0)
libhc.so.1
libinchi.so.1
libm.so.6
libpthread.so.0
libpython2.7.so.1.0
libstdc++.so.6
libstdc++.so.6(CXXABI_1.3)
libstdc++.so.6(CXXABI_1.3.1)
rtld(GNU_HASH)
rdkit-devel (rpmlib, GLIBC filtered):
boost-devel
cmake
libAlignment.so.1
libCatalogs.so.1
libChemReactions.so.1
libChemTransforms.so.1
libChemicalFeatures.so.1
libDataStructs.so.1
libDepictor.so.1
libDescriptors.so.1
libDistGeomHelpers.so.1
libDistGeometry.so.1
libEigenSolvers.so.1
libFileParsers.so.1
libFingerprints.so.1
libForceField.so.1
libForceFieldHelpers.so.1
libFragCatalog.so.1
libGraphMol.so.1
libMolAlign.so.1
libMolCatalog.so.1
libMolChemicalFeatures.so.1
libMolTransforms.so.1
libOptimizer.so.1
libPartialCharges.so.1
libRDBoost.so.1
libRDGeneral.so.1
libRDGeometryLib.so.1
libRDInchiLib.so.1
libSLNParse.so.1
libShapeHelpers.so.1
libSimDivPickers.so.1
libSmilesParse.so.1
libSubgraphs.so.1
libSubstructMatch.so.1
libhc.so.1
python2-devel
rdkit(x86-32)
rdkit-postgresql (rpmlib, GLIBC filtered):
libChemTransforms.so.1
libDataStructs.so.1
libDepictor.so.1
libDescriptors.so.1
libFileParsers.so.1
libFingerprints.so.1
libGraphMol.so.1
libRDGeneral.so.1
libSmilesParse.so.1
libSubstructMatch.so.1
libc.so.6
libgcc_s.so.1
libgcc_s.so.1(GCC_3.0)
libm.so.6
libstdc++.so.6
libstdc++.so.6(CXXABI_1.3)
postgresql-server
rdkit(x86-32)
rtld(GNU_HASH)
rdkit-extras (rpmlib, GLIBC filtered):
/usr/bin/env
/usr/bin/python
rdkit
python-rdkit (rpmlib, GLIBC filtered):
libAlignment.so.1
libCatalogs.so.1
libChemReactions.so.1
libChemTransforms.so.1
libChemicalFeatures.so.1
libDataStructs.so.1
libDepictor.so.1
libDescriptors.so.1
libDistGeomHelpers.so.1
libDistGeometry.so.1
libEigenSolvers.so.1
libFileParsers.so.1
libFingerprints.so.1
libForceField.so.1
libForceFieldHelpers.so.1
libFragCatalog.so.1
libGraphMol.so.1
libMolAlign.so.1
libMolCatalog.so.1
libMolChemicalFeatures.so.1
libMolTransforms.so.1
libOptimizer.so.1
libPartialCharges.so.1
libRDBoost.so.1
libRDGeneral.so.1
libRDGeometryLib.so.1
libRDInchiLib.so.1
libSLNParse.so.1
libShapeHelpers.so.1
libSimDivPickers.so.1
libSmilesParse.so.1
libSubgraphs.so.1
libSubstructMatch.so.1
libboost_python.so.1.55.0
libboost_regex.so.1.55.0
libc.so.6
libgcc_s.so.1
libgcc_s.so.1(GCC_3.0)
libhc.so.1
libinchi.so.1
libm.so.6
libpthread.so.0
libpython2.7.so.1.0
libstdc++.so.6
libstdc++.so.6(CXXABI_1.3)
numpy
pycairo
python(abi)
python-imaging
rdkit(x86-32)
rtld(GNU_HASH)
xorg-x11-fonts-Type1
rdkit-doc (rpmlib, GLIBC filtered):
rdkit
Provides
--------
rdkit:
libAlignment.so.1
libCatalogs.so.1
libChemReactions.so.1
libChemTransforms.so.1
libChemicalFeatures.so.1
libDataStructs.so.1
libDepictor.so.1
libDescriptors.so.1
libDistGeomHelpers.so.1
libDistGeometry.so.1
libEigenSolvers.so.1
libFileParsers.so.1
libFingerprints.so.1
libForceField.so.1
libForceFieldHelpers.so.1
libFragCatalog.so.1
libGraphMol.so.1
libMolAlign.so.1
libMolCatalog.so.1
libMolChemicalFeatures.so.1
libMolTransforms.so.1
libOptimizer.so.1
libPartialCharges.so.1
libRDBoost.so.1
libRDGeneral.so.1
libRDGeometryLib.so.1
libRDInchiLib.so.1
libSLNParse.so.1
libShapeHelpers.so.1
libSimDivPickers.so.1
libSmilesParse.so.1
libSubgraphs.so.1
libSubstructMatch.so.1
libhc.so.1
rdkit
rdkit(x86-32)
rdkit-devel:
rdkit-devel
rdkit-devel(x86-32)
rdkit-postgresql:
rdkit-postgresql
rdkit-postgresql(x86-32)
rdkit-extras:
rdkit-extras
python-rdkit:
python-rdkit
python-rdkit(x86-32)
rdkit-doc:
rdkit-doc
Unversioned so-files
--------------------
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Chem/rdChemReactions.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Chem/rdChemicalFeatures.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Chem/rdDepictor.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Chem/rdDistGeom.so
python-rdkit:
/usr/lib/python2.7/site-packages/rdkit/Chem/rdForceFieldHelpers.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Chem/rdMolAlign.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Chem/rdMolCatalog.so
python-rdkit:
/usr/lib/python2.7/site-packages/rdkit/Chem/rdMolChemicalFeatures.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Chem/rdMolDescriptors.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Chem/rdMolTransforms.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Chem/rdPartialCharges.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Chem/rdSLNParse.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Chem/rdShapeHelpers.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Chem/rdchem.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Chem/rdfragcatalog.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Chem/rdinchi.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Chem/rdmolfiles.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Chem/rdmolops.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Chem/rdqueries.so
python-rdkit:
/usr/lib/python2.7/site-packages/rdkit/DataManip/Metric/rdMetricMatrixCalc.so
python-rdkit:
/usr/lib/python2.7/site-packages/rdkit/DataStructs/cDataStructs.so
python-rdkit:
/usr/lib/python2.7/site-packages/rdkit/DistanceGeometry/DistGeom.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/ForceField/rdForceField.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Geometry/rdGeometry.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/ML/Cluster/Clustering.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/ML/Data/cQuantize.so
python-rdkit:
/usr/lib/python2.7/site-packages/rdkit/ML/InfoTheory/rdInfoTheory.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/Numerics/rdAlignment.so
python-rdkit:
/usr/lib/python2.7/site-packages/rdkit/SimDivFilters/rdSimDivPickers.so
python-rdkit: /usr/lib/python2.7/site-packages/rdkit/rdBase.so
rdkit-postgresql: /usr/lib/pgsql/rdkit.so
Source checksums
----------------
https://github.com/rdkit/rdkit/archive/Release_2014_03_1.tar.gz :
CHECKSUM(SHA256) this package :
a9e2181afc1bbf9116d7e6a9dfdbe6eb9599813f8aaa3aad9f771ddb889b51af
CHECKSUM(SHA256) upstream package :
a9e2181afc1bbf9116d7e6a9dfdbe6eb9599813f8aaa3aad9f771ddb889b51af
Generated by fedora-review 0.5.1 (bb9bf27) last change: 2013-12-13
Command line :/usr/bin/fedora-review -rvn rdkit-2014.03.1-1.fc20.src.rpm
Buildroot used: fedora-rawhide-i386
Active plugins: Python, Generic, Shell-api, C/C++
Disabled plugins: Java, SugarActivity, fonts, Haskell, Ocaml, Perl, R, PHP,
Ruby
Disabled flags: EXARCH, EPEL5, BATCH, DISTTAG
--
You are receiving this mail because:
You are on the CC list for the bug.
You are always notified about changes to this product and component