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searchindex.js
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Search.setIndex({"docnames": ["acknowledgements", "applications/chox", "applications/confgen", "applications/genfraglib", "applications/index", "applications/isogen", "applications/psdcreate", "applications/psdinfo", "applications/psdmerge", "applications/psdscreen", "applications/shapescreen", "applications/structgen", "applications/tautgen", "bibliography", "cdpl_api_doc/c++_api_doc/index", "cdpl_api_doc/index", "cdpl_api_doc/python_api_doc/index", "cdpl_python_cookbook/biomol/index", "cdpl_python_cookbook/chem/index", "cdpl_python_cookbook/chem/molecule/fragmentation/atom_env_extraction", "cdpl_python_cookbook/chem/molecule/fragmentation/index", "cdpl_python_cookbook/chem/molecule/index", "cdpl_python_cookbook/chem/molecule/io/index", "cdpl_python_cookbook/chem/molecule/io/sd_proc", "cdpl_python_cookbook/chem/molecule/io/seq_input", "cdpl_python_cookbook/chem/molecule/standardization/chembl_pipeline", "cdpl_python_cookbook/chem/molecule/standardization/clean_mol_db", "cdpl_python_cookbook/chem/molecule/standardization/index", "cdpl_python_cookbook/chem/molecule/standardization/prot_phys_cond", "cdpl_python_cookbook/chem/molecule/substruct_search/index", "cdpl_python_cookbook/chem/molecule/substruct_search/substruct_filter", "cdpl_python_cookbook/confgen/gen_3d_struct", "cdpl_python_cookbook/confgen/gen_ensemble", "cdpl_python_cookbook/confgen/index", "cdpl_python_cookbook/confgen/tor_driving", "cdpl_python_cookbook/descr/fingerprints/ecfp", "cdpl_python_cookbook/descr/fingerprints/fame_fp", "cdpl_python_cookbook/descr/fingerprints/index", "cdpl_python_cookbook/descr/index", "cdpl_python_cookbook/forcefield/index", "cdpl_python_cookbook/forcefield/mmff94_charges", "cdpl_python_cookbook/index", "cdpl_python_cookbook/molprop/atom/class_props", "cdpl_python_cookbook/molprop/atom/con_props", "cdpl_python_cookbook/molprop/atom/elec_props", "cdpl_python_cookbook/molprop/atom/elem_props", "cdpl_python_cookbook/molprop/atom/index", "cdpl_python_cookbook/molprop/atom/physchem_props", "cdpl_python_cookbook/molprop/index", "cdpl_python_cookbook/pharm/generation/ia_ph4s", "cdpl_python_cookbook/pharm/generation/index", "cdpl_python_cookbook/pharm/generation/mol_ph4s", "cdpl_python_cookbook/pharm/index", "cdpl_python_cookbook/pharm/io/index", "cdpl_python_cookbook/pharm/io/seq_input", "cdpl_python_cookbook/pharm/processing/ftr_props", "cdpl_python_cookbook/pharm/processing/index", "cdpl_python_cookbook/pharm/processing/mol_align", "cdpl_python_tutorial/cdpl_python_tutorial", "cdpl_python_tutorial/index", "genindex", "index", "installation", "introduction", "release_notes"], "filenames": ["acknowledgements.rst", "applications/chox.rst", "applications/confgen.rst", "applications/genfraglib.rst", "applications/index.rst", "applications/isogen.rst", "applications/psdcreate.rst", "applications/psdinfo.rst", "applications/psdmerge.rst", "applications/psdscreen.rst", "applications/shapescreen.rst", "applications/structgen.rst", "applications/tautgen.rst", "bibliography.rst", "cdpl_api_doc/c++_api_doc/index.rst", "cdpl_api_doc/index.rst", "cdpl_api_doc/python_api_doc/index.rst", "cdpl_python_cookbook/biomol/index.rst", "cdpl_python_cookbook/chem/index.rst", "cdpl_python_cookbook/chem/molecule/fragmentation/atom_env_extraction.rst", "cdpl_python_cookbook/chem/molecule/fragmentation/index.rst", "cdpl_python_cookbook/chem/molecule/index.rst", "cdpl_python_cookbook/chem/molecule/io/index.rst", "cdpl_python_cookbook/chem/molecule/io/sd_proc.rst", "cdpl_python_cookbook/chem/molecule/io/seq_input.rst", "cdpl_python_cookbook/chem/molecule/standardization/chembl_pipeline.rst", "cdpl_python_cookbook/chem/molecule/standardization/clean_mol_db.rst", "cdpl_python_cookbook/chem/molecule/standardization/index.rst", "cdpl_python_cookbook/chem/molecule/standardization/prot_phys_cond.rst", "cdpl_python_cookbook/chem/molecule/substruct_search/index.rst", "cdpl_python_cookbook/chem/molecule/substruct_search/substruct_filter.rst", "cdpl_python_cookbook/confgen/gen_3d_struct.rst", "cdpl_python_cookbook/confgen/gen_ensemble.rst", "cdpl_python_cookbook/confgen/index.rst", "cdpl_python_cookbook/confgen/tor_driving.rst", "cdpl_python_cookbook/descr/fingerprints/ecfp.rst", "cdpl_python_cookbook/descr/fingerprints/fame_fp.rst", "cdpl_python_cookbook/descr/fingerprints/index.rst", "cdpl_python_cookbook/descr/index.rst", "cdpl_python_cookbook/forcefield/index.rst", "cdpl_python_cookbook/forcefield/mmff94_charges.rst", "cdpl_python_cookbook/index.rst", "cdpl_python_cookbook/molprop/atom/class_props.rst", "cdpl_python_cookbook/molprop/atom/con_props.rst", "cdpl_python_cookbook/molprop/atom/elec_props.rst", "cdpl_python_cookbook/molprop/atom/elem_props.rst", "cdpl_python_cookbook/molprop/atom/index.rst", "cdpl_python_cookbook/molprop/atom/physchem_props.rst", "cdpl_python_cookbook/molprop/index.rst", "cdpl_python_cookbook/pharm/generation/ia_ph4s.rst", "cdpl_python_cookbook/pharm/generation/index.rst", "cdpl_python_cookbook/pharm/generation/mol_ph4s.rst", "cdpl_python_cookbook/pharm/index.rst", "cdpl_python_cookbook/pharm/io/index.rst", "cdpl_python_cookbook/pharm/io/seq_input.rst", "cdpl_python_cookbook/pharm/processing/ftr_props.rst", "cdpl_python_cookbook/pharm/processing/index.rst", "cdpl_python_cookbook/pharm/processing/mol_align.rst", "cdpl_python_tutorial/cdpl_python_tutorial.rst", "cdpl_python_tutorial/index.rst", "genindex.rst", "index.rst", "installation.rst", "introduction.rst", "release_notes.rst"], "titles": ["Acknowledgements", "ChOX", "confgen", "genfraglib", "CDPKit Applications", "isogen", "psdcreate", "psdinfo", "psdmerge", "psdscreen", "shapescreen", "structgen", "tautgen", "Bibliography", "C++ API", "CDPL API Documentation", "Python API", "Processing of Biological Macromolecules", "<span class=\"section-number\">1. </span>Processing of Chemical Data", "<span 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Other Electronic Properties", "<span class=\"section-number\">3.1.2. </span>Chemical Element Properties", "<span class=\"section-number\">3.1. </span>Atomic Properties", "<span class=\"section-number\">3.1.5. </span>Physicochemical Properties", "<span class=\"section-number\">3. </span>Calculation of Molecule, Atom and Bond Properties", "<span class=\"section-number\">2.2.2. </span>Ligand-receptor Interaction Pharmacophores", "<span class=\"section-number\">2.2. </span>Generation", "<span class=\"section-number\">2.2.1. </span>Plain Molecule Pharmacophores", "<span class=\"section-number\">2. </span>Pharmacophore Generation and Processing", "<span class=\"section-number\">2.1. </span>Input and Output", "<span class=\"section-number\">2.1.1. </span>Sequential Input", "<span class=\"section-number\">2.3.1. </span>Retrieving Feature Properties", "<span class=\"section-number\">2.3. </span>Processing", "<span class=\"section-number\">2.3.2. </span>Molecule to Reference Pharmacophore 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25, 26, 31, 32, 34, 36, 41, 44, 51, 55, 58, 59, 63, 64], "log": [2, 3, 5, 6, 7, 8, 9, 10, 11, 12, 58], "redirect": [2, 3, 5, 6, 7, 8, 9, 10, 11, 12], "text": [2, 3, 5, 6, 7, 8, 9, 10, 11, 12], "progress": [2, 3, 5, 6, 7, 8, 9, 10, 11, 12, 28, 30, 31, 32, 34, 49, 51, 57, 58], "show": [2, 3, 5, 6, 7, 8, 9, 10, 11, 12, 26, 58], "bar": [2, 3, 5, 6, 7, 8, 9, 10, 11, 12], "true": [2, 3, 5, 6, 7, 8, 9, 10, 11, 12, 25, 26, 28, 30, 31, 32, 34, 35, 42, 49, 51, 57, 58], "fail": [2, 11, 19, 23, 24, 25, 26, 28, 30, 31, 32, 34, 35, 36, 40, 42, 43, 44, 45, 47, 49, 51, 54, 55, 57, 58], "smart": [2, 3, 5, 9, 10, 11, 12, 13, 30, 34, 59, 63, 64], "sma": [2, 3, 5, 9, 10, 11, 12], "num": [2, 3, 5, 6, 9, 10, 11, 12, 34, 35, 58], "thread": [2, 3, 6, 9, 10, 11, 12], "4": [2, 3, 6, 9, 10, 11, 12, 13, 26, 58, 62, 63], "number": [2, 3, 5, 6, 9, 10, 11, 12, 25, 26, 32, 34, 35, 43, 57, 58], "parallel": [2, 3, 6, 9, 10, 11, 12], "multithread": [2, 3, 6, 9, 10, 11, 12], "implicit": [2, 3, 6, 9, 10, 11, 12, 19, 26, 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