Lista plików pakietu rdkit-data z gałęzi forky na architekturę all

/usr/share/RDKit/Contrib/AtomAtomSimilarity/AtomAtomPathSimilarity.py
/usr/share/RDKit/Contrib/CMakeLists.txt
/usr/share/RDKit/Contrib/CalcLigRMSD/CalcLigRMSD.py
/usr/share/RDKit/Contrib/CalcLigRMSD/Examples_CalcLigRMSD.ipynb
/usr/share/RDKit/Contrib/CalcLigRMSD/README.md
/usr/share/RDKit/Contrib/CalcLigRMSD/data/1C9_renamed.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/1d4i_BEG.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/3m11_AKI.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/3w2c_N15.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/4i23_1C9.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/4i24_1C9.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/4uzh_JVE.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/5dpv.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/5dt0.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/6c83.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_1.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_2.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_renamed.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/AKI_renamed.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/BEG_test.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/JVE_renamed.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/N15_renamed.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/SKE_crystal_aligned_1.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/SKE_renamed.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/aurka_protein_2c6e.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/crystal_aligned.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_ACP_pH74_netcharge1.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_AKI_pH74_netcharge1.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_JVE_pH74_netcharge1.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_N15_pH74_netcharge1.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_SKE_pH74_netcharge1.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_3w2p_1C9_pH74_netcharge1.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/data/lig_crystal_aligned.pdb
/usr/share/RDKit/Contrib/CalcLigRMSD/figures/1C9.png
/usr/share/RDKit/Contrib/CalcLigRMSD/figures/5dpv_complex.png
/usr/share/RDKit/Contrib/CalcLigRMSD/figures/6c83_complex.png
/usr/share/RDKit/Contrib/CalcLigRMSD/figures/AKI.png
/usr/share/RDKit/Contrib/CalcLigRMSD/figures/BEG.png
/usr/share/RDKit/Contrib/CalcLigRMSD/figures/JVE.png
/usr/share/RDKit/Contrib/CalcLigRMSD/figures/N15.png
/usr/share/RDKit/Contrib/ChiralPairs/ChiralDescriptors.py
/usr/share/RDKit/Contrib/ChiralPairs/README.txt
/usr/share/RDKit/Contrib/ConformerParser/CMakeLists.txt
/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.cpp
/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.h
/usr/share/RDKit/Contrib/ConformerParser/Wrap/CMakeLists.txt
/usr/share/RDKit/Contrib/ConformerParser/Wrap/rdConformerParser.cpp
/usr/share/RDKit/Contrib/ConformerParser/Wrap/testConformerParser.py
/usr/share/RDKit/Contrib/ConformerParser/test.cpp
/usr/share/RDKit/Contrib/Fastcluster/README.md
/usr/share/RDKit/Contrib/Fastcluster/cdk2.smi
/usr/share/RDKit/Contrib/Fastcluster/centroid.tsv
/usr/share/RDKit/Contrib/Fastcluster/clustered.tsv
/usr/share/RDKit/Contrib/Fastcluster/clustered_parse.tsv
/usr/share/RDKit/Contrib/Fastcluster/fastcluster.py
/usr/share/RDKit/Contrib/Fastcluster/fp.tsv
/usr/share/RDKit/Contrib/Fastcluster/testdata/cdk2.sdf
/usr/share/RDKit/Contrib/Fastcluster/testdata/converted.smi
/usr/share/RDKit/Contrib/Fastcluster/testdata/sdf2smi.py
/usr/share/RDKit/Contrib/FreeWilson/README.md
/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810.smi
/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_act.csv
/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_scaffold.mol
/usr/share/RDKit/Contrib/FreeWilson/freewilson.py
/usr/share/RDKit/Contrib/FreeWilson/pytest.ini
/usr/share/RDKit/Contrib/FreeWilson/requirements.txt
/usr/share/RDKit/Contrib/FreeWilson/setup.py
/usr/share/RDKit/Contrib/FreeWilson/test/test_freewilson.py
/usr/share/RDKit/Contrib/Glare/README.txt
/usr/share/RDKit/Contrib/Glare/glare.py
/usr/share/RDKit/Contrib/IFG/README
/usr/share/RDKit/Contrib/IFG/ifg.py
/usr/share/RDKit/Contrib/LEF/AddLabels.py
/usr/share/RDKit/Contrib/LEF/ClusterFps.py
/usr/share/RDKit/Contrib/LEF/CreateFps.py
/usr/share/RDKit/Contrib/LEF/DistancePlot.py
/usr/share/RDKit/Contrib/LEF/DistancePredict.py
/usr/share/RDKit/Contrib/LEF/README.txt
/usr/share/RDKit/Contrib/M_Kossner/BaseFeatures_DIP2_NoMicrospecies.fdef
/usr/share/RDKit/Contrib/M_Kossner/Frames.py
/usr/share/RDKit/Contrib/M_Kossner/README
/usr/share/RDKit/Contrib/MolVS/molvs_cli.py
/usr/share/RDKit/Contrib/NIBRSubstructureFilters/FilterSet_NIBR2019_wPubChemExamples.html
/usr/share/RDKit/Contrib/NIBRSubstructureFilters/README.md
/usr/share/RDKit/Contrib/NIBRSubstructureFilters/SubstructureFilter_HitTriaging_wPubChemExamples.csv
/usr/share/RDKit/Contrib/NIBRSubstructureFilters/assignSubstructureFilters.py
/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples/chembl24_structs_randomtestSample_100.csv
/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples/chembl24_structs_randomtestSample_100_out.csv
/usr/share/RDKit/Contrib/NIBRSubstructureFilters/filterExamples.png
/usr/share/RDKit/Contrib/NP_Score/README
/usr/share/RDKit/Contrib/NP_Score/npscorer.py
/usr/share/RDKit/Contrib/NP_Score/publicnp.model.gz
/usr/share/RDKit/Contrib/PBF/Makefile
/usr/share/RDKit/Contrib/PBF/PBFRDKit.cpp
/usr/share/RDKit/Contrib/PBF/PBFRDKit.h
/usr/share/RDKit/Contrib/PBF/README
/usr/share/RDKit/Contrib/PBF/demo.cpp
/usr/share/RDKit/Contrib/PBF/pbf.py
/usr/share/RDKit/Contrib/PBF/testData/egfr.out
/usr/share/RDKit/Contrib/PBF/testData/egfr.sdf
/usr/share/RDKit/Contrib/RxnRoleAssignment/README.txt
/usr/share/RDKit/Contrib/RxnRoleAssignment/__init__.py
/usr/share/RDKit/Contrib/RxnRoleAssignment/identifyReactants.py
/usr/share/RDKit/Contrib/RxnRoleAssignment/utils.py
/usr/share/RDKit/Contrib/SA_Score/README
/usr/share/RDKit/Contrib/SA_Score/UnitTestSAScore.py
/usr/share/RDKit/Contrib/SA_Score/build_sascore_db.py
/usr/share/RDKit/Contrib/SA_Score/data/zim.100.txt
/usr/share/RDKit/Contrib/SA_Score/fpscores.pkl.gz
/usr/share/RDKit/Contrib/SA_Score/sascorer.py
/usr/share/RDKit/Contrib/efgs/README.md
/usr/share/RDKit/Contrib/efgs/ch33query.sql
/usr/share/RDKit/Contrib/efgs/efgs.py
/usr/share/RDKit/Contrib/efgs/try_efgs.py
/usr/share/RDKit/Contrib/fraggle/atomcontrib.py
/usr/share/RDKit/Contrib/fraggle/cxn_tversky.py
/usr/share/RDKit/Contrib/fraggle/data/ChEMBL_11265_actives.smi
/usr/share/RDKit/Contrib/fraggle/data/final_fraggle_results.csv
/usr/share/RDKit/Contrib/fraggle/data/fragmentation_tversky_out
/usr/share/RDKit/Contrib/fraggle/data/query.smi
/usr/share/RDKit/Contrib/fraggle/data/query_fragmentation.csv
/usr/share/RDKit/Contrib/fraggle/fraggle.py
/usr/share/RDKit/Contrib/fraggle/rdkit_tversky.py
/usr/share/RDKit/Contrib/fraggle/readme.txt
/usr/share/RDKit/Contrib/mmpa/README.txt
/usr/share/RDKit/Contrib/mmpa/cansmirk.py
/usr/share/RDKit/Contrib/mmpa/create_mmp_db.py
/usr/share/RDKit/Contrib/mmpa/data/sample.smi
/usr/share/RDKit/Contrib/mmpa/data/sample_cansmirks.txt
/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_smi.txt
/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs.txt
/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs_smarts.txt
/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans.txt
/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans_smarts.txt
/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_smi_output.txt
/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_output.txt
/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_smart_output.txt
/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_output.txt
/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_smarts_output.txt
/usr/share/RDKit/Contrib/mmpa/data/sample_fragmented.txt
/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_default.csv
/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxheavy.csv
/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxratio.csv
/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_sym.csv
/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_sym_maxheavy.csv
/usr/share/RDKit/Contrib/mmpa/data/sample_mol_trans_output.txt
/usr/share/RDKit/Contrib/mmpa/data/sample_smiles_mol_trans.smi
/usr/share/RDKit/Contrib/mmpa/data/sample_smirks.txt
/usr/share/RDKit/Contrib/mmpa/data/sample_smirks_mol_trans.txt
/usr/share/RDKit/Contrib/mmpa/data/sample_transfroms.txt
/usr/share/RDKit/Contrib/mmpa/data/simple.smi
/usr/share/RDKit/Contrib/mmpa/indexing.py
/usr/share/RDKit/Contrib/mmpa/mol_transform.py
/usr/share/RDKit/Contrib/mmpa/rfrag.py
/usr/share/RDKit/Contrib/mmpa/search_mmp_db.py
/usr/share/RDKit/Contrib/mmpa/test_rfrag.py
/usr/share/RDKit/Contrib/pzc/p_con.html
/usr/share/RDKit/Contrib/pzc/p_con.py
/usr/share/RDKit/Contrib/pzc/readme.md
/usr/share/RDKit/Data/BaseFeatures.fdef
/usr/share/RDKit/Data/Crippen.txt
/usr/share/RDKit/Data/DTDs/RD_Dataset.dtd
/usr/share/RDKit/Data/DTDs/RD_Model.dtd
/usr/share/RDKit/Data/DTDs/validate.py
/usr/share/RDKit/Data/Fonts/Amadeus.ttf
/usr/share/RDKit/Data/Fonts/Telex-Regular.ttf
/usr/share/RDKit/Data/Fonts/amadeus_font_license.txt
/usr/share/RDKit/Data/Fonts/font_dumper.py
/usr/share/RDKit/Data/Fonts/roboto_regular_license.txt
/usr/share/RDKit/Data/Fonts/telex_font_license.txt
/usr/share/RDKit/Data/FragmentDescriptors.csv
/usr/share/RDKit/Data/FunctionalGroups.txt
/usr/share/RDKit/Data/Functional_Group_Hierarchy.txt
/usr/share/RDKit/Data/NCI/first_200.props.sdf
/usr/share/RDKit/Data/NCI/first_200.tpsa.csv
/usr/share/RDKit/Data/NCI/first_5K.smi
/usr/share/RDKit/Data/NCI/first_5k.tpsa.csv
/usr/share/RDKit/Data/Pains/README.md
/usr/share/RDKit/Data/Pains/test_data/run_tests.py
/usr/share/RDKit/Data/Pains/test_data/test_set3.txt
/usr/share/RDKit/Data/Pains/test_data/wehi_mols.csv
/usr/share/RDKit/Data/Pains/wehi_pains.csv
/usr/share/RDKit/Data/RDData.sqlt
/usr/share/RDKit/Data/RDTests.sqlt
/usr/share/RDKit/Data/Salts.txt
/usr/share/RDKit/Data/SmartsLib/RLewis_smarts.txt
/usr/share/RDKit/Data/SmartsLib/patty_rules.txt
/usr/share/RDKit/Data/SmartsLib/tests/bench2.py
/usr/share/RDKit/Data/SmartsLib/tests/fps.1000.counts.pkl.gz
/usr/share/RDKit/Data/SmartsLib/tests/mols.1000.pkl.gz
/usr/share/RDKit/Data/rddata.sql
/usr/share/RDKit/Data/struchk/checkfgs.chk
/usr/share/RDKit/Data/struchk/checkfgs.opt
/usr/share/RDKit/Data/struchk/checkfgs.trn
/usr/share/RDKit/Projects/.pytest_cache/.gitignore
/usr/share/RDKit/Projects/.pytest_cache/CACHEDIR.TAG
/usr/share/RDKit/Projects/.pytest_cache/README.md
/usr/share/RDKit/Projects/.pytest_cache/v/cache/nodeids
/usr/share/RDKit/Projects/DbCLI/CreateDb.py
/usr/share/RDKit/Projects/DbCLI/SearchDb.py
/usr/share/RDKit/Projects/DbCLI/UnitTestDbCLI.py
/usr/share/RDKit/Projects/DbCLI/moe_like.dsc
/usr/share/RDKit/Projects/DbCLI/testData/README
/usr/share/RDKit/Projects/DbCLI/testData/bzr.2.smi
/usr/share/RDKit/Projects/DbCLI/testData/bzr.sdf
/usr/share/RDKit/Projects/DbCLI/testData/bzr.smi
/usr/share/RDKit/Projects/DbCLI/testData/bzr/AtomPairs.sqlt
/usr/share/RDKit/Projects/DbCLI/testData/bzr/Compounds.sqlt
/usr/share/RDKit/Projects/DbCLI/testData/bzr/Descriptors.sqlt
/usr/share/RDKit/Projects/DbCLI/testData/bzr/Fingerprints.sqlt
/usr/share/RDKit/Projects/DbCLI/testData/bzr/loadErrors.txt
/usr/share/RDKit/Projects/DbCLI/testData/bzr_q1.mol
/usr/share/RDKit/Projects/DbCLI/testData/pubchem.200.sdf
/usr/share/RDKit/Projects/pytest.ini
/usr/share/doc/rdkit-data/changelog.Debian.gz
/usr/share/doc/rdkit-data/changelog.gz
/usr/share/doc/rdkit-data/copyright