├── .coveragerc ├── .github └── workflows │ └── main.yml ├── .gitignore ├── .readthedocs.yml ├── CHANGELOG.md ├── Dockerfile ├── LICENSE ├── Readme.md ├── accounts ├── __init__.py ├── admin.py ├── apps.py ├── forms.py ├── migrations │ ├── 0001_initial.py │ ├── 0002_userprofile_image.py │ ├── 0003_auto_20180123_0354.py │ ├── 0004_auto_20190516_1728.py │ ├── 0005_auto_20190903_1518.py │ └── __init__.py ├── models.py ├── templates │ └── accounts │ │ ├── activate.html │ │ ├── activation_email.html │ │ ├── base.html │ │ ├── change_password.html │ │ ├── login.html │ │ ├── logout.html │ │ ├── profile.html │ │ ├── register.html │ │ ├── reset_password.html │ │ ├── reset_password_complete.html │ │ ├── reset_password_confirm.html │ │ ├── reset_password_done.html │ │ └── reset_password_email.html ├── tests.py ├── tokens.py ├── urls.py └── views.py ├── doc ├── Makefile ├── coding_rules.rst ├── conf.py ├── database.rst ├── development.rst ├── example_server.rst ├── index.rst ├── make.bat ├── matd3.conf ├── matd3.service ├── matd3.socket ├── other.rst ├── qresp.conf ├── qresp.rst ├── qresp.service ├── qresp.socket ├── requirements.txt ├── setup.rst ├── tutorial.rst └── website.rst ├── env.example ├── mainproject ├── __init__.py ├── context_processors.py ├── settings.py ├── static │ ├── favicon.ico │ └── mainproject │ │ └── style.css ├── templates │ └── mainproject │ │ ├── base.html │ │ ├── contact.html │ │ ├── contributors.html │ │ └── home_default.html ├── urls.py ├── views.py └── wsgi.py ├── manage.py ├── materials ├── __init__.py ├── admin.py ├── apps.py ├── elements.py ├── fixtures │ ├── authors.json │ ├── datasets.json │ ├── properties.json │ ├── references.json │ ├── systems.json │ ├── units.json │ └── users.json ├── forms.py ├── migrations │ ├── 0001_initial.py │ ├── 0002_auto_20171226_1609.py │ ├── 0003_auto_20171231_1626.py │ ├── 0004_auto_20180107_1841.py │ ├── 0005_auto_20180108_1519.py │ ├── 0006_auto_20180108_1523.py │ ├── 0007_auto_20180108_1756.py │ ├── 0008_auto_20180119_1937.py │ ├── 0009_excitonemission_pl_file.py │ ├── 0010_auto_20180121_2224.py │ ├── 0011_remove_excitonemission_pl_file.py │ ├── 0012_excitonemission_pl_file.py │ ├── 0013_auto_20180123_0231.py │ ├── 0014_remove_bandstructure_band_structure.py │ ├── 0015_bandstructure_folder_location.py │ ├── 0016_bandstructure_band_structure.py │ ├── 0017_remove_bandstructure_band_structure.py │ ├── 0018_auto_20180130_2205.py │ ├── 0019_auto_20180131_0232.py │ ├── 0019_auto_20180209_1534.py │ ├── 0020_auto_20180131_0232.py │ ├── 0020_excitonemission_plotted.py │ ├── 0021_atomicpositions_plotted.py │ ├── 0021_merge_20180318_2207.py │ ├── 0022_auto_20180320_1820.py │ ├── 0023_merge_20180320_1842.py │ ├── 0024_auto_20180321_1512.py │ ├── 0025_auto_20180321_1658.py │ ├── 0026_auto_20180324_0011.py │ ├── 0027_remove_synthesismethod_syn_file.py │ ├── 0028_synthesismethod_syn_file.py │ ├── 0029_bandstructure_visible.py │ ├── 0030_auto_20180628_1820.py │ ├── 0031_auto_20180628_1952.py │ ├── 0032_auto_20180703_1728.py │ ├── 0033_atomicpositions_synthesis_method.py │ ├── 0034_auto_20180724_1343.py │ ├── 0035_auto_20180726_1539.py │ ├── 0036_auto_20180726_2048.py │ ├── 0037_auto_20190118_1228.py │ ├── 0038_property_unit.py │ ├── 0039_delete_post.py │ ├── 0040_auto_20190123_1732.py │ ├── 0041_dataset_plotted.py │ ├── 0042_auto_20190216_1726.py │ ├── 0043_auto_20190216_1738.py │ ├── 0044_auto_20190216_1743.py │ ├── 0045_auto_20190220_1524.py │ ├── 0046_auto_20190220_1525.py │ ├── 0047_auto_20190220_1654.py │ ├── 0048_remove_dataset_comment.py │ ├── 0049_auto_20190220_1744.py │ ├── 0050_property_requires_input_files.py │ ├── 0051_datapointsymbol.py │ ├── 0052_dataset_extraction_method.py │ ├── 0053_dataset_representative.py │ ├── 0054_auto_20190318_1704.py │ ├── 0055_auto_20190327_2305.py │ ├── 0056_auto_20190328_1458.py │ ├── 0057_auto_20190328_2245.py │ ├── 0058_auto_20190329_1018.py │ ├── 0059_auto_20190331_2300.py │ ├── 0060_numericalvaluefixed_counter.py │ ├── 0061_auto_20190404_1254.py │ ├── 0062_auto_20190405_1237.py │ ├── 0063_auto_20190405_1329.py │ ├── 0064_auto_20190411_1136.py │ ├── 0065_auto_20190411_1510.py │ ├── 0066_auto_20190411_1559.py │ ├── 0067_datasetfile.py │ ├── 0068_auto_20190415_2140.py │ ├── 0069_auto_20190416_1114.py │ ├── 0070_auto_20190416_1338.py │ ├── 0071_auto_20190416_1557.py │ ├── 0072_auto_20190422_1708.py │ ├── 0073_remove_dataset_has_files.py │ ├── 0074_auto_20190422_2138.py │ ├── 0075_auto_20190428_2315.py │ ├── 0076_auto_20190429_1709.py │ ├── 0077_auto_20190430_1154.py │ ├── 0078_auto_20190501_1418.py │ ├── 0079_remove_property_require_input_files.py │ ├── 0080_auto_20190509_1525.py │ ├── 0081_rename_dataseries.py │ ├── 0082_auto_20190520_1113.py │ ├── 0083_auto_20190521_1322.py │ ├── 0084_auto_20190522_1547.py │ ├── 0085_auto_20190523_1107.py │ ├── 0086_auto_20190523_1247.py │ ├── 0087_auto_20190523_1343.py │ ├── 0088_auto_20190531_1752.py │ ├── 0089_subset_crystal_system.py │ ├── 0090_remove_dataset_crystal_system.py │ ├── 0091_auto_20190606_1319.py │ ├── 0092_phasetransition.py │ ├── 0093_auto_20190619_1601.py │ ├── 0094_auto_20190718_1358.py │ ├── 0095_auto_20190718_1710.py │ ├── 0096_dataset_verified_by.py │ ├── 0097_auto_20190815_1728.py │ ├── 0098_auto_20190820_1536.py │ ├── 0099_auto_20190821_1401.py │ ├── 0100_auto_20190903_1548.py │ ├── 0101_auto_20190905_1702.py │ ├── 0102_dataset_doi.py │ ├── 0103_dataset_space_group.py │ ├── 0104_auto_20210525_1003.py │ ├── 0105_auto_20210610_1030.py │ ├── 0106_system_derived_to_from.py │ ├── 0107_auto_20220308_1328.py │ ├── 0108_auto_20220310_0938.py │ ├── 0109_auto_20220331_0922.py │ ├── 0110_merge_20220331_1752.py │ ├── 0111_auto_20220406_2313.py │ ├── 0112_note.py │ ├── 0113_auto_20220428_0940.py │ ├── 0114_auto_20220512_0923.py │ ├── 0115_auto_20220601_1610.py │ ├── 0116_auto_20220707_0803.py │ ├── 0117_auto_20220707_1026.py │ ├── 0118_subset_space_group.py │ ├── 0119_auto_20220712_1407.py │ ├── 0120_subset_space_group_id.py │ ├── 0121_auto_20220715_1104.py │ ├── 0122_auto_20220810_2047.py │ ├── 0123_alter_additionalfile_created_by_and_more.py │ ├── 0124_system_message.py │ ├── 0125_alter_system_message.py │ ├── 0126_dataset_notice.py │ ├── 0127_property_method.py │ ├── 0128_auto_20240930_1321.py │ ├── 0129_auto_20240930_1403.py │ ├── 0130_auto_20240930_1456.py │ ├── 0131_stoichiometry_elements_system_stoichiometry.py │ ├── 0132_auto_20240930_1607.py │ ├── 0133_stoichiometry_elements_system_stoichiometry.py │ ├── 0134_remove_dataset_dimensionality.py │ └── __init__.py ├── models.py ├── permissions.py ├── qresp.py ├── serializers.py ├── signals.py ├── static │ ├── jsmol │ │ ├── JSmol.min.js │ │ └── j2s │ │ │ ├── J │ │ │ ├── Jmol.properties │ │ │ ├── adapter │ │ │ │ ├── readers │ │ │ │ │ ├── aflow │ │ │ │ │ │ └── AFLOWReader.js │ │ │ │ │ ├── cif │ │ │ │ │ │ ├── Cif2DataParser.js │ │ │ │ │ │ ├── Cif2Reader.js │ │ │ │ │ │ ├── CifReader.js │ │ │ │ │ │ ├── MMCifReader.js │ │ │ │ │ │ ├── MMCifValidationParser.js │ │ │ │ │ │ ├── MMTFReader.js │ │ │ │ │ │ ├── MSCifParser.js │ │ │ │ │ │ ├── MSRdr.js │ │ │ │ │ │ └── Subsystem.js │ │ │ │ │ ├── molxyz │ │ │ │ │ │ ├── Mol3DReader.js │ │ │ │ │ │ ├── MolReader.js │ │ │ │ │ │ ├── V3000Rdr.js │ │ │ │ │ │ └── XyzReader.js │ │ │ │ │ ├── more │ │ │ │ │ │ ├── BinaryDcdReader.js │ │ │ │ │ │ ├── ForceFieldReader.js │ │ │ │ │ │ ├── GromacsReader.js │ │ │ │ │ │ ├── JcampdxReader.js │ │ │ │ │ │ ├── MdCrdReader.js │ │ │ │ │ │ ├── MdTopReader.js │ │ │ │ │ │ ├── Mol2Reader.js │ │ │ │ │ │ └── TlsDataOnlyReader.js │ │ │ │ │ ├── pdb │ │ │ │ │ │ ├── JmolDataReader.js │ │ │ │ │ │ ├── P2nReader.js │ │ │ │ │ │ ├── PdbReader.js │ │ │ │ │ │ └── PqrReader.js │ │ │ │ │ ├── pymol │ │ │ │ │ │ ├── JmolObject.js │ │ │ │ │ │ ├── PickleReader.js │ │ │ │ │ │ ├── PyMOL.js │ │ │ │ │ │ ├── PyMOLGroup.js │ │ │ │ │ │ ├── PyMOLReader.js │ │ │ │ │ │ └── PyMOLScene.js │ │ │ │ │ ├── quantum │ │ │ │ │ │ ├── AdfReader.js │ │ │ │ │ │ ├── BasisFunctionReader.js │ │ │ │ │ │ ├── CsfReader.js │ │ │ │ │ │ ├── DgridReader.js │ │ │ │ │ │ ├── GamessReader.js │ │ │ │ │ │ ├── GamessUKReader.js │ │ │ │ │ │ ├── GamessUSReader.js │ │ │ │ │ │ ├── GaussianFchkReader.js │ │ │ │ │ │ ├── GaussianReader.js │ │ │ │ │ │ ├── GaussianWfnReader.js │ │ │ │ │ │ ├── GenNBOReader.js │ │ │ │ │ │ ├── JaguarReader.js │ │ │ │ │ │ ├── MOReader.js │ │ │ │ │ │ ├── MoldenReader.js │ │ │ │ │ │ ├── MopacGraphfReader.js │ │ │ │ │ │ ├── MopacSlaterReader.js │ │ │ │ │ │ ├── NBOParser.js │ │ │ │ │ │ ├── NWChemReader.js │ │ │ │ │ │ ├── PsiReader.js │ │ │ │ │ │ ├── QchemReader.js │ │ │ │ │ │ ├── SlaterReader.js │ │ │ │ │ │ └── WebMOReader.js │ │ │ │ │ ├── simple │ │ │ │ │ │ ├── AlchemyReader.js │ │ │ │ │ │ ├── AmpacReader.js │ │ │ │ │ │ ├── CubeReader.js │ │ │ │ │ │ ├── FoldingXyzReader.js │ │ │ │ │ │ ├── GhemicalMMReader.js │ │ │ │ │ │ ├── HyperChemReader.js │ │ │ │ │ │ ├── InputReader.js │ │ │ │ │ │ ├── JSONReader.js │ │ │ │ │ │ ├── JmeReader.js │ │ │ │ │ │ ├── MopacArchiveReader.js │ │ │ │ │ │ ├── MopacReader.js │ │ │ │ │ │ └── TinkerReader.js │ │ │ │ │ ├── spartan │ │ │ │ │ │ ├── OdysseyReader.js │ │ │ │ │ │ ├── SpartanArchive.js │ │ │ │ │ │ ├── SpartanInputReader.js │ │ │ │ │ │ ├── SpartanReader.js │ │ │ │ │ │ ├── SpartanSmolReader.js │ │ │ │ │ │ └── SpartanUtil.js │ │ │ │ │ ├── xml │ │ │ │ │ │ ├── XmlArgusReader.js │ │ │ │ │ │ ├── XmlChem3dReader.js │ │ │ │ │ │ ├── XmlCmlReader.js │ │ │ │ │ │ ├── XmlHandler.js │ │ │ │ │ │ ├── XmlMOReader.js │ │ │ │ │ │ ├── XmlMagResReader.js │ │ │ │ │ │ ├── XmlMolproReader.js │ │ │ │ │ │ ├── XmlOdysseyReader.js │ │ │ │ │ │ ├── XmlQEReader.js │ │ │ │ │ │ ├── XmlReader.js │ │ │ │ │ │ ├── XmlVaspReader.js │ │ │ │ │ │ └── XmlXsdReader.js │ │ │ │ │ └── xtal │ │ │ │ │ │ ├── AbinitReader.js │ │ │ │ │ │ ├── AimsReader.js │ │ │ │ │ │ ├── BilbaoReader.js │ │ │ │ │ │ ├── CastepReader.js │ │ │ │ │ │ ├── CgdReader.js │ │ │ │ │ │ ├── CrystalReader.js │ │ │ │ │ │ ├── DmolReader.js │ │ │ │ │ │ ├── EspressoReader.js │ │ │ │ │ │ ├── GulpReader.js │ │ │ │ │ │ ├── JanaReader.js │ │ │ │ │ │ ├── MagresReader.js │ │ │ │ │ │ ├── ShelxReader.js │ │ │ │ │ │ ├── SiestaReader.js │ │ │ │ │ │ ├── VaspChgcarReader.js │ │ │ │ │ │ ├── VaspOutcarReader.js │ │ │ │ │ │ ├── VaspPoscarReader.js │ │ │ │ │ │ ├── Wien2kReader.js │ │ │ │ │ │ └── XcrysdenReader.js │ │ │ │ └── smarter │ │ │ │ │ ├── Atom.js │ │ │ │ │ ├── AtomIterator.js │ │ │ │ │ ├── AtomSetCollection.js │ │ │ │ │ ├── AtomSetCollectionReader.js │ │ │ │ │ ├── AtomSetObject.js │ │ │ │ │ ├── Bond.js │ │ │ │ │ ├── BondIterator.js │ │ │ │ │ ├── MSInterface.js │ │ │ │ │ ├── Resolver.js │ │ │ │ │ ├── SmarterJmolAdapter.js │ │ │ │ │ ├── Structure.js │ │ │ │ │ ├── StructureIterator.js │ │ │ │ │ └── XtalSymmetry.js │ │ │ ├── api │ │ │ │ ├── AtomIndexIterator.js │ │ │ │ ├── GenericGraphics.js │ │ │ │ ├── Interface.js │ │ │ │ ├── JSVInterface.js │ │ │ │ ├── JmolAbstractButton.js │ │ │ │ ├── JmolAdapter.js │ │ │ │ ├── JmolAdapterAtomIterator.js │ │ │ │ ├── JmolAdapterBondIterator.js │ │ │ │ ├── JmolAdapterStructureIterator.js │ │ │ │ ├── JmolAnnotationParser.js │ │ │ │ ├── JmolAppAPI.js │ │ │ │ ├── JmolAppConsoleInterface.js │ │ │ │ ├── JmolAppletInterface.js │ │ │ │ ├── JmolCallbackListener.js │ │ │ │ ├── JmolDataManager.js │ │ │ │ ├── JmolDialogInterface.js │ │ │ │ ├── JmolDomReaderInterface.js │ │ │ │ ├── JmolEnvCalc.js │ │ │ │ ├── JmolFilesReaderInterface.js │ │ │ │ ├── JmolGestureServerInterface.js │ │ │ │ ├── JmolGraphicsInterface.js │ │ │ │ ├── JmolJDXMOLParser.js │ │ │ │ ├── JmolJDXMOLReader.js │ │ │ │ ├── JmolJSpecView.js │ │ │ │ ├── JmolMeasurementClient.js │ │ │ │ ├── JmolModulationSet.js │ │ │ │ ├── JmolMovieCreatorInterface.js │ │ │ │ ├── JmolNMRInterface.js │ │ │ │ ├── JmolNavigatorInterface.js │ │ │ │ ├── JmolParallelProcessor.js │ │ │ │ ├── JmolPatternMatcher.js │ │ │ │ ├── JmolPdfCreatorInterface.js │ │ │ │ ├── JmolPropertyManager.js │ │ │ │ ├── JmolRendererInterface.js │ │ │ │ ├── JmolRepaintManager.js │ │ │ │ ├── JmolSceneGenerator.js │ │ │ │ ├── JmolScriptEditorInterface.js │ │ │ │ ├── JmolScriptEvaluator.js │ │ │ │ ├── JmolScriptFunction.js │ │ │ │ ├── JmolScriptManager.js │ │ │ │ ├── JmolSelectionListener.js │ │ │ │ ├── JmolStatusListener.js │ │ │ │ ├── JmolSyncInterface.js │ │ │ │ ├── JmolToJSmolInterface.js │ │ │ │ ├── JmolTouchSimulatorInterface.js │ │ │ │ ├── JmolViewer.js │ │ │ │ ├── JmolZipUtilities.js │ │ │ │ ├── PymolAtomReader.js │ │ │ │ ├── SmilesMatcherInterface.js │ │ │ │ ├── SymmetryInterface.js │ │ │ │ └── Translator.js │ │ │ ├── appletjs │ │ │ │ └── Jmol.js │ │ │ ├── atomdata │ │ │ │ ├── AtomData.js │ │ │ │ ├── AtomDataServer.js │ │ │ │ └── RadiusData.js │ │ │ ├── awtjs │ │ │ │ └── Platform.js │ │ │ ├── awtjs2d │ │ │ │ ├── Display.js │ │ │ │ ├── Image.js │ │ │ │ ├── JSFile.js │ │ │ │ ├── JSFont.js │ │ │ │ ├── JSModelKitPopup.js │ │ │ │ ├── JmolJSPopup.js │ │ │ │ ├── JsG2D.js │ │ │ │ ├── Mouse.js │ │ │ │ └── Platform.js │ │ │ ├── bspt │ │ │ │ ├── Bspf.js │ │ │ │ ├── Bspt.js │ │ │ │ ├── CubeIterator.js │ │ │ │ ├── Element.js │ │ │ │ ├── Leaf.js │ │ │ │ └── Node.js │ │ │ ├── c │ │ │ │ ├── CBK.js │ │ │ │ ├── FIL.js │ │ │ │ ├── HB.js │ │ │ │ ├── PAL.js │ │ │ │ ├── STER.js │ │ │ │ ├── STR.js │ │ │ │ └── VDW.js │ │ │ ├── console │ │ │ │ ├── GenericConsole.js │ │ │ │ └── GenericTextArea.js │ │ │ ├── consolejs │ │ │ │ ├── AppletConsole.js │ │ │ │ └── JSConsole.js │ │ │ ├── dssx │ │ │ │ ├── AnnotationParser.js │ │ │ │ ├── Bridge.js │ │ │ │ ├── DSSP.js │ │ │ │ ├── DSSR0.js │ │ │ │ └── DSSR1.js │ │ │ ├── export │ │ │ │ ├── Export3D.js │ │ │ │ ├── JSExporter.js │ │ │ │ ├── MeshData.js │ │ │ │ ├── UseTable.js │ │ │ │ ├── _IdtfExporter.js │ │ │ │ ├── _MayaExporter.js │ │ │ │ ├── _ObjExporter.js │ │ │ │ ├── _PovrayExporter.js │ │ │ │ ├── _StlExporter.js │ │ │ │ ├── _TachyonExporter.js │ │ │ │ ├── _VrmlExporter.js │ │ │ │ ├── _X3dExporter.js │ │ │ │ ├── __CartesianExporter.js │ │ │ │ ├── __RayTracerExporter.js │ │ │ │ └── ___Exporter.js │ │ │ ├── g3d │ │ │ │ ├── CircleRenderer.js │ │ │ │ ├── CylinderRenderer.js │ │ │ │ ├── G3DRenderer.js │ │ │ │ ├── Graphics3D.js │ │ │ │ ├── HermiteRenderer.js │ │ │ │ ├── LineRenderer.js │ │ │ │ ├── Pixelator.js │ │ │ │ ├── PixelatorScreened.js │ │ │ │ ├── PixelatorShaded.js │ │ │ │ ├── PixelatorT.js │ │ │ │ ├── Platform3D.js │ │ │ │ ├── PrecisionRenderer.js │ │ │ │ ├── SphereRenderer.js │ │ │ │ ├── TextRenderer.js │ │ │ │ ├── TextString.js │ │ │ │ └── TriangleRenderer.js │ │ │ ├── geodesic │ │ │ │ └── EnvelopeCalculation.js │ │ │ ├── i18n │ │ │ │ ├── GT.js │ │ │ │ ├── Language.js │ │ │ │ └── Resource.js │ │ │ ├── image │ │ │ │ └── AviCreator.js │ │ │ ├── io │ │ │ │ ├── DOMReader.js │ │ │ │ ├── FileReader.js │ │ │ │ ├── FilesReader.js │ │ │ │ └── JmolUtil.js │ │ │ ├── jsv │ │ │ │ ├── JDXMOLParser.js │ │ │ │ └── JSpecView.js │ │ │ ├── jvxl │ │ │ │ ├── api │ │ │ │ │ ├── MeshDataServer.js │ │ │ │ │ └── VertexDataServer.js │ │ │ │ ├── calc │ │ │ │ │ ├── MarchingCubes.js │ │ │ │ │ └── MarchingSquares.js │ │ │ │ ├── data │ │ │ │ │ ├── JvxlCoder.js │ │ │ │ │ ├── JvxlData.js │ │ │ │ │ ├── MeshData.js │ │ │ │ │ └── VolumeData.js │ │ │ │ └── readers │ │ │ │ │ ├── ApbsReader.js │ │ │ │ │ ├── AtomDataReader.js │ │ │ │ │ ├── AtomPropertyMapper.js │ │ │ │ │ ├── CastepDensityReader.js │ │ │ │ │ ├── CubeReader.js │ │ │ │ │ ├── DelPhiBinaryReader.js │ │ │ │ │ ├── Dsn6BinaryReader.js │ │ │ │ │ ├── EfvetReader.js │ │ │ │ │ ├── IsoFxyReader.js │ │ │ │ │ ├── IsoFxyzReader.js │ │ │ │ │ ├── IsoIntersectReader.js │ │ │ │ │ ├── IsoMOReader.js │ │ │ │ │ ├── IsoMepReader.js │ │ │ │ │ ├── IsoMlpReader.js │ │ │ │ │ ├── IsoPlaneReader.js │ │ │ │ │ ├── IsoShapeReader.js │ │ │ │ │ ├── IsoSolventReader.js │ │ │ │ │ ├── JaguarReader.js │ │ │ │ │ ├── JvxlReader.js │ │ │ │ │ ├── JvxlXmlReader.js │ │ │ │ │ ├── KinemageReader.js │ │ │ │ │ ├── MapFileReader.js │ │ │ │ │ ├── MrcBinaryReader.js │ │ │ │ │ ├── MsmsReader.js │ │ │ │ │ ├── NffReader.js │ │ │ │ │ ├── ObjReader.js │ │ │ │ │ ├── Parameters.js │ │ │ │ │ ├── PeriodicVolumeFileReader.js │ │ │ │ │ ├── PltFormattedReader.js │ │ │ │ │ ├── Pmesh4Reader.js │ │ │ │ │ ├── PmeshReader.js │ │ │ │ │ ├── PolygonFileReader.js │ │ │ │ │ ├── PyMOLMeshReader.js │ │ │ │ │ ├── Ras3DReader.js │ │ │ │ │ ├── SurfaceFileReader.js │ │ │ │ │ ├── SurfaceGenerator.js │ │ │ │ │ ├── SurfaceReader.js │ │ │ │ │ ├── UhbdReader.js │ │ │ │ │ ├── VaspChgcarReader.js │ │ │ │ │ ├── VolumeDataReader.js │ │ │ │ │ ├── VolumeFileReader.js │ │ │ │ │ ├── XmlReader.js │ │ │ │ │ ├── XplorReader.js │ │ │ │ │ └── XsfReader.js │ │ │ ├── modelkit │ │ │ │ ├── ModelKitPopupResourceBundle.js │ │ │ │ └── images │ │ │ │ │ ├── atoms.png │ │ │ │ │ ├── bonds.png │ │ │ │ │ ├── dotdotdot.png │ │ │ │ │ └── undoButton.gif │ │ │ ├── navigate │ │ │ │ └── Navigator.js │ │ │ ├── popup │ │ │ │ ├── GenericSwingPopup.js │ │ │ │ ├── JSSwingPopupHelper.js │ │ │ │ ├── JmolGenericPopup.js │ │ │ │ ├── MainPopupResourceBundle.js │ │ │ │ ├── PopupHelper.js │ │ │ │ └── PopupResource.js │ │ │ ├── quantum │ │ │ │ ├── MOCalculation.js │ │ │ │ ├── MepCalculation.js │ │ │ │ ├── MlpCalculation.js │ │ │ │ ├── NMRCalculation.js │ │ │ │ ├── NciCalculation.js │ │ │ │ ├── QMAtom.js │ │ │ │ ├── QS.js │ │ │ │ ├── QuantumCalculation.js │ │ │ │ ├── QuantumPlaneCalculation.js │ │ │ │ ├── SlaterData.js │ │ │ │ ├── atomicLipophilicity.txt │ │ │ │ └── nmr_data.txt │ │ │ ├── render │ │ │ │ ├── AxesRenderer.js │ │ │ │ ├── BallsRenderer.js │ │ │ │ ├── BbcageRenderer.js │ │ │ │ ├── CageRenderer.js │ │ │ │ ├── EchoRenderer.js │ │ │ │ ├── FontLineShapeRenderer.js │ │ │ │ ├── FrankRenderer.js │ │ │ │ ├── HalosRenderer.js │ │ │ │ ├── HoverRenderer.js │ │ │ │ ├── LabelsRenderer.js │ │ │ │ ├── MeasuresRenderer.js │ │ │ │ ├── MeshRenderer.js │ │ │ │ ├── RepaintManager.js │ │ │ │ ├── ShapeRenderer.js │ │ │ │ ├── StarsRenderer.js │ │ │ │ ├── SticksRenderer.js │ │ │ │ ├── TextRenderer.js │ │ │ │ └── UccageRenderer.js │ │ │ ├── renderbio │ │ │ │ ├── BackboneRenderer.js │ │ │ │ ├── BioMeshRenderer.js │ │ │ │ ├── BioShapeRenderer.js │ │ │ │ ├── CartoonRenderer.js │ │ │ │ ├── MeshRibbonRenderer.js │ │ │ │ ├── NucleicRenderer.js │ │ │ │ ├── RibbonsRenderer.js │ │ │ │ ├── RocketRenderer.js │ │ │ │ ├── RocketsRenderer.js │ │ │ │ ├── StrandsRenderer.js │ │ │ │ └── TraceRenderer.js │ │ │ ├── rendercgo │ │ │ │ └── CGORenderer.js │ │ │ ├── renderspecial │ │ │ │ ├── DipolesRenderer.js │ │ │ │ ├── DotsRenderer.js │ │ │ │ ├── DrawRenderer.js │ │ │ │ ├── EllipsoidsRenderer.js │ │ │ │ ├── GeoSurfaceRenderer.js │ │ │ │ ├── PolyhedraRenderer.js │ │ │ │ └── VectorsRenderer.js │ │ │ ├── rendersurface │ │ │ │ ├── ContactRenderer.js │ │ │ │ ├── IsosurfaceRenderer.js │ │ │ │ ├── LcaoCartoonRenderer.js │ │ │ │ ├── MolecularOrbitalRenderer.js │ │ │ │ ├── NBORenderer.js │ │ │ │ ├── Plot3DRenderer.js │ │ │ │ └── PmeshRenderer.js │ │ │ ├── shape │ │ │ │ ├── AtomShape.js │ │ │ │ ├── Axes.js │ │ │ │ ├── Balls.js │ │ │ │ ├── Bbcage.js │ │ │ │ ├── Echo.js │ │ │ │ ├── FontLineShape.js │ │ │ │ ├── Frank.js │ │ │ │ ├── Halos.js │ │ │ │ ├── Hover.js │ │ │ │ ├── Labels.js │ │ │ │ ├── Measures.js │ │ │ │ ├── Mesh.js │ │ │ │ ├── MeshCollection.js │ │ │ │ ├── Shape.js │ │ │ │ ├── Stars.js │ │ │ │ ├── Sticks.js │ │ │ │ ├── TextShape.js │ │ │ │ └── Uccage.js │ │ │ ├── shapebio │ │ │ │ ├── Backbone.js │ │ │ │ ├── BioShape.js │ │ │ │ ├── BioShapeCollection.js │ │ │ │ ├── Cartoon.js │ │ │ │ ├── MeshRibbon.js │ │ │ │ ├── Ribbons.js │ │ │ │ ├── Rockets.js │ │ │ │ ├── Strands.js │ │ │ │ └── Trace.js │ │ │ ├── shapecgo │ │ │ │ ├── CGO.js │ │ │ │ └── CGOMesh.js │ │ │ ├── shapespecial │ │ │ │ ├── Dipole.js │ │ │ │ ├── Dipoles.js │ │ │ │ ├── Dots.js │ │ │ │ ├── Draw.js │ │ │ │ ├── DrawMesh.js │ │ │ │ ├── Ellipsoid.js │ │ │ │ ├── Ellipsoids.js │ │ │ │ ├── GeoSurface.js │ │ │ │ ├── Polyhedra.js │ │ │ │ ├── Polyhedron.js │ │ │ │ └── Vectors.js │ │ │ ├── shapesurface │ │ │ │ ├── Contact.js │ │ │ │ ├── Isosurface.js │ │ │ │ ├── IsosurfaceMesh.js │ │ │ │ ├── LcaoCartoon.js │ │ │ │ ├── MolecularOrbital.js │ │ │ │ ├── NBO.js │ │ │ │ ├── PMeshWriter.js │ │ │ │ ├── Plot3D.js │ │ │ │ └── Pmesh.js │ │ │ └── thread │ │ │ │ ├── AnimationThread.js │ │ │ │ ├── HoverWatcherThread.js │ │ │ │ ├── JmolThread.js │ │ │ │ ├── MoveToThread.js │ │ │ │ ├── SpinThread.js │ │ │ │ ├── TimeoutThread.js │ │ │ │ └── VibrationThread.js │ │ │ ├── JM │ │ │ ├── AlphaMonomer.js │ │ │ ├── AlphaPolymer.js │ │ │ ├── AminoMonomer.js │ │ │ ├── AminoPolymer.js │ │ │ ├── Annotation.js │ │ │ ├── Atom.js │ │ │ ├── AtomCollection.js │ │ │ ├── AtomIteratorWithinModel.js │ │ │ ├── AtomIteratorWithinModelSet.js │ │ │ ├── BasePair.js │ │ │ ├── BioExt.js │ │ │ ├── BioModel.js │ │ │ ├── BioModelSet.js │ │ │ ├── BioPolymer.js │ │ │ ├── BioResolver.js │ │ │ ├── Bond.js │ │ │ ├── BondCollection.js │ │ │ ├── BondIterator.js │ │ │ ├── BondIteratorSelected.js │ │ │ ├── BondSet.js │ │ │ ├── CarbohydrateMonomer.js │ │ │ ├── CarbohydratePolymer.js │ │ │ ├── Chain.js │ │ │ ├── FF │ │ │ │ ├── AtomType.js │ │ │ │ ├── Calculation.js │ │ │ │ ├── Calculations.js │ │ │ │ ├── CalculationsMMFF.js │ │ │ │ ├── CalculationsUFF.js │ │ │ │ ├── FFParam.js │ │ │ │ ├── ForceField.js │ │ │ │ ├── ForceFieldMMFF.js │ │ │ │ ├── ForceFieldUFF.js │ │ │ │ ├── MMFFAngleCalc.js │ │ │ │ ├── MMFFDistanceCalc.js │ │ │ │ ├── MMFFESCalc.js │ │ │ │ ├── MMFFOOPCalc.js │ │ │ │ ├── MMFFSBCalc.js │ │ │ │ ├── MMFFTorsionCalc.js │ │ │ │ ├── MMFFVDWCalc.js │ │ │ │ ├── UFFAngleCalc.js │ │ │ │ ├── UFFDistanceCalc.js │ │ │ │ ├── UFFOOPCalc.js │ │ │ │ ├── UFFTorsionCalc.js │ │ │ │ ├── UFFVDWCalc.js │ │ │ │ └── data │ │ │ │ │ ├── MMFF94-smarts.txt │ │ │ │ │ ├── UFF.txt │ │ │ │ │ └── mmff94.par.txt │ │ │ ├── Group.js │ │ │ ├── HBond.js │ │ │ ├── Helix.js │ │ │ ├── LabelToken.js │ │ │ ├── Measurement.js │ │ │ ├── MeasurementData.js │ │ │ ├── MeasurementPending.js │ │ │ ├── MinAngle.js │ │ │ ├── MinAtom.js │ │ │ ├── MinBond.js │ │ │ ├── MinObject.js │ │ │ ├── MinPosition.js │ │ │ ├── MinTorsion.js │ │ │ ├── MinimizationThread.js │ │ │ ├── Minimizer.js │ │ │ ├── Model.js │ │ │ ├── ModelLoader.js │ │ │ ├── ModelSet.js │ │ │ ├── Monomer.js │ │ │ ├── NucleicMonomer.js │ │ │ ├── NucleicPolymer.js │ │ │ ├── Orientation.js │ │ │ ├── PhosphorusMonomer.js │ │ │ ├── PhosphorusPolymer.js │ │ │ ├── ProteinStructure.js │ │ │ ├── Sheet.js │ │ │ ├── StateScript.js │ │ │ ├── Structure.js │ │ │ ├── Text.js │ │ │ ├── TickInfo.js │ │ │ ├── Trajectory.js │ │ │ ├── Turn.js │ │ │ └── Util.js │ │ │ ├── JS │ │ │ ├── CIPChirality.js │ │ │ ├── CmdExt.js │ │ │ ├── CommandWatcherThread.js │ │ │ ├── ContextToken.js │ │ │ ├── FileLoadThread.js │ │ │ ├── HallInfo.js │ │ │ ├── HallRotation.js │ │ │ ├── HallRotationTerm.js │ │ │ ├── HallTranslation.js │ │ │ ├── InvalidSmilesException.js │ │ │ ├── IsoExt.js │ │ │ ├── MathExt.js │ │ │ ├── PointGroup.js │ │ │ ├── PolyhedronStereoSorter.js │ │ │ ├── SV.js │ │ │ ├── ScriptCompiler.js │ │ │ ├── ScriptContext.js │ │ │ ├── ScriptDelayThread.js │ │ │ ├── ScriptError.js │ │ │ ├── ScriptEval.js │ │ │ ├── ScriptException.js │ │ │ ├── ScriptExpr.js │ │ │ ├── ScriptExt.js │ │ │ ├── ScriptFlowContext.js │ │ │ ├── ScriptFunction.js │ │ │ ├── ScriptInterruption.js │ │ │ ├── ScriptManager.js │ │ │ ├── ScriptMathProcessor.js │ │ │ ├── ScriptParallelProcessor.js │ │ │ ├── ScriptParam.js │ │ │ ├── ScriptProcess.js │ │ │ ├── ScriptProcessRunnable.js │ │ │ ├── ScriptQueueThread.js │ │ │ ├── ScriptTokenParser.js │ │ │ ├── SmilesAromatic.js │ │ │ ├── SmilesAtom.js │ │ │ ├── SmilesBond.js │ │ │ ├── SmilesExt.js │ │ │ ├── SmilesGenerator.js │ │ │ ├── SmilesMatcher.js │ │ │ ├── SmilesMeasure.js │ │ │ ├── SmilesParser.js │ │ │ ├── SmilesRing.js │ │ │ ├── SmilesRingSet.js │ │ │ ├── SmilesSearch.js │ │ │ ├── SmilesStereo.js │ │ │ ├── SpaceGroup.js │ │ │ ├── Symmetry.js │ │ │ ├── SymmetryDesc.js │ │ │ ├── SymmetryInfo.js │ │ │ ├── SymmetryOperation.js │ │ │ ├── T.js │ │ │ ├── UnitCell.js │ │ │ ├── UnitCellIterator.js │ │ │ └── VTemp.js │ │ │ ├── JSV │ │ │ ├── api │ │ │ │ ├── AnnotationData.js │ │ │ │ ├── AppletFrame.js │ │ │ │ ├── ExportInterface.js │ │ │ │ ├── JSVAppInterface.js │ │ │ │ ├── JSVAppletInterface.js │ │ │ │ ├── JSVExporter.js │ │ │ │ ├── JSVFileDropper.js │ │ │ │ ├── JSVFileHelper.js │ │ │ │ ├── JSVMainPanel.js │ │ │ │ ├── JSVPanel.js │ │ │ │ ├── JSVPdfWriter.js │ │ │ │ ├── JSVPopupMenu.js │ │ │ │ ├── JSVPrintDialog.js │ │ │ │ ├── JSVTree.js │ │ │ │ ├── JSVTreeNode.js │ │ │ │ ├── JSVTreePath.js │ │ │ │ ├── JSVViewPanel.js │ │ │ │ ├── JSVZipInterface.js │ │ │ │ ├── JSVZipReader.js │ │ │ │ ├── PanelListener.js │ │ │ │ ├── PlatformDialog.js │ │ │ │ ├── ScriptInterface.js │ │ │ │ ├── SourceReader.js │ │ │ │ └── VisibleInterface.js │ │ │ ├── app │ │ │ │ ├── GenericMouse.js │ │ │ │ ├── JSVApp.js │ │ │ │ └── JSVAppPro.js │ │ │ ├── appletjs │ │ │ │ ├── JSVApplet.js │ │ │ │ └── JSVAppletPro.js │ │ │ ├── common │ │ │ │ ├── Annotation.js │ │ │ │ ├── ColorParameters.js │ │ │ │ ├── ColoredAnnotation.js │ │ │ │ ├── CoordComparator.js │ │ │ │ ├── Coordinate.js │ │ │ │ ├── ExportType.js │ │ │ │ ├── GraphSet.js │ │ │ │ ├── ImageView.js │ │ │ │ ├── Integral.js │ │ │ │ ├── IntegralComparator.js │ │ │ │ ├── IntegralData.js │ │ │ │ ├── JSVFileManager.js │ │ │ │ ├── JSVZipFileSequentialReader.js │ │ │ │ ├── JSVZipUtil.js │ │ │ │ ├── JSVersion.js │ │ │ │ ├── JSViewer.js │ │ │ │ ├── Measurement.js │ │ │ │ ├── MeasurementData.js │ │ │ │ ├── PDFWriter.js │ │ │ │ ├── PanelData.js │ │ │ │ ├── PanelNode.js │ │ │ │ ├── Parameters.js │ │ │ │ ├── PeakData.js │ │ │ │ ├── PeakInfo.js │ │ │ │ ├── PeakPick.js │ │ │ │ ├── PeakPickEvent.js │ │ │ │ ├── PlotWidget.js │ │ │ │ ├── PrintLayout.js │ │ │ │ ├── RepaintManager.js │ │ │ │ ├── ScaleData.js │ │ │ │ ├── ScriptToken.js │ │ │ │ ├── ScriptTokenizer.js │ │ │ │ ├── Spectrum.js │ │ │ │ ├── SubSpecChangeEvent.js │ │ │ │ ├── TODO.txt │ │ │ │ ├── ViewData.js │ │ │ │ ├── Visible.js │ │ │ │ ├── XYScaleConverter.js │ │ │ │ └── ZoomEvent.js │ │ │ ├── dialog │ │ │ │ ├── DialogManager.js │ │ │ │ ├── DialogParams.js │ │ │ │ ├── IntegrationDialog.js │ │ │ │ ├── JSVDialog.js │ │ │ │ ├── MeasurementsDialog.js │ │ │ │ ├── OverlayLegendDialog.js │ │ │ │ ├── PeakListDialog.js │ │ │ │ └── ViewsDialog.js │ │ │ ├── exception │ │ │ │ └── JSVException.js │ │ │ ├── export │ │ │ │ ├── AMLExporter.js │ │ │ │ ├── CMLExporter.js │ │ │ │ ├── ExportInterface.js │ │ │ │ ├── Exporter.js │ │ │ │ ├── FormContext.js │ │ │ │ ├── FormExporter.js │ │ │ │ ├── JDXCompressor.js │ │ │ │ ├── JDXExporter.js │ │ │ │ ├── SVGExporter.js │ │ │ │ ├── XMLExporter.js │ │ │ │ └── resources │ │ │ │ │ ├── animl_nmr.vm │ │ │ │ │ ├── animl_tmp.vm │ │ │ │ │ ├── cml_nmr.vm │ │ │ │ │ ├── cml_tmp.vm │ │ │ │ │ ├── plot.vm │ │ │ │ │ └── plot_ink.vm │ │ │ ├── js2d │ │ │ │ ├── DialogTableModel.js │ │ │ │ ├── Display.js │ │ │ │ ├── Image.js │ │ │ │ ├── JsDialog.js │ │ │ │ ├── JsDialogManager.js │ │ │ │ ├── JsFile.js │ │ │ │ ├── JsFileHelper.js │ │ │ │ ├── JsFont.js │ │ │ │ ├── JsG2D.js │ │ │ │ ├── JsMainPanel.js │ │ │ │ ├── JsPanel.js │ │ │ │ ├── JsParameters.js │ │ │ │ ├── JsPlatform.js │ │ │ │ └── JsPopup.js │ │ │ ├── popup │ │ │ │ ├── JSVGenericPopup.js │ │ │ │ └── JSVPopupResourceBundle.js │ │ │ ├── source │ │ │ │ ├── AnIMLReader.js │ │ │ │ ├── CMLReader.js │ │ │ │ ├── JDXDataObject.js │ │ │ │ ├── JDXDecompressor.js │ │ │ │ ├── JDXHeader.js │ │ │ │ ├── JDXReader.js │ │ │ │ ├── JDXSource.js │ │ │ │ ├── JDXSourceStreamTokenizer.js │ │ │ │ ├── XMLParser.js │ │ │ │ └── XMLReader.js │ │ │ └── tree │ │ │ │ ├── SimpleTree.js │ │ │ │ ├── SimpleTreeEnumeration.js │ │ │ │ ├── SimpleTreeModel.js │ │ │ │ ├── SimpleTreeNode.js │ │ │ │ └── SimpleTreePath.js │ │ │ ├── JU │ │ │ ├── A4.js │ │ │ ├── AU.js │ │ │ ├── Adler32.js │ │ │ ├── AjaxURLConnection.js │ │ │ ├── AjaxURLStreamHandler.js │ │ │ ├── AjaxURLStreamHandlerFactory.js │ │ │ ├── ArrayDataReader.js │ │ │ ├── BArray.js │ │ │ ├── BC.js │ │ │ ├── BS.js │ │ │ ├── BSUtil.js │ │ │ ├── Base64.js │ │ │ ├── BinaryDocument.js │ │ │ ├── BoxInfo.js │ │ │ ├── C.js │ │ │ ├── CRC32.js │ │ │ ├── CU.js │ │ │ ├── Checksum.js │ │ │ ├── CifDataParser.js │ │ │ ├── ColorEncoder.js │ │ │ ├── CommandHistory.js │ │ │ ├── CompoundDocDirEntry.js │ │ │ ├── CompoundDocHeader.js │ │ │ ├── CompoundDocument.js │ │ │ ├── ContactPair.js │ │ │ ├── DF.js │ │ │ ├── DataReader.js │ │ │ ├── DebugJS.js │ │ │ ├── DefaultLogger.js │ │ │ ├── Deflate.js │ │ │ ├── Deflater.js │ │ │ ├── DeflaterOutputStream.js │ │ │ ├── Edge.js │ │ │ ├── Eigen.js │ │ │ ├── EigenSort.js │ │ │ ├── Elements.js │ │ │ ├── Encoding.js │ │ │ ├── Escape.js │ │ │ ├── GData.js │ │ │ ├── GZIPException.js │ │ │ ├── GZIPHeader.js │ │ │ ├── GZIPInputStream.js │ │ │ ├── GZIPOutputStream.js │ │ │ ├── GenericApplet.js │ │ │ ├── Geodesic.js │ │ │ ├── InfBlocks.js │ │ │ ├── InfCodes.js │ │ │ ├── InfTree.js │ │ │ ├── Inflate.js │ │ │ ├── Inflater.js │ │ │ ├── InflaterInputStream.js │ │ │ ├── Int2IntHash.js │ │ │ ├── JSJSONParser.js │ │ │ ├── JSONException.js │ │ │ ├── JZlib.js │ │ │ ├── JmolMolecule.js │ │ │ ├── LimitedLineReader.js │ │ │ ├── ListDataReader.js │ │ │ ├── Logger.js │ │ │ ├── LoggerInterface.js │ │ │ ├── Lst.js │ │ │ ├── M3.js │ │ │ ├── M34.js │ │ │ ├── M4.js │ │ │ ├── Matrix.js │ │ │ ├── Measure.js │ │ │ ├── MeshCapper.js │ │ │ ├── MeshSlicer.js │ │ │ ├── MeshSurface.js │ │ │ ├── MessagePackReader.js │ │ │ ├── Modulation.js │ │ │ ├── ModulationSet.js │ │ │ ├── Node.js │ │ │ ├── Normix.js │ │ │ ├── OC.js │ │ │ ├── P3.js │ │ │ ├── P3i.js │ │ │ ├── P4.js │ │ │ ├── PT.js │ │ │ ├── Parser.js │ │ │ ├── PatternMatcher.js │ │ │ ├── Point3fi.js │ │ │ ├── Quat.js │ │ │ ├── Rdr.js │ │ │ ├── Rectangle.js │ │ │ ├── Rgb16.js │ │ │ ├── SB.js │ │ │ ├── Shader.js │ │ │ ├── SimpleEdge.js │ │ │ ├── SimpleNode.js │ │ │ ├── SimpleUnitCell.js │ │ │ ├── StaticTree.js │ │ │ ├── StringDataReader.js │ │ │ ├── T3.js │ │ │ ├── T3d.js │ │ │ ├── T3i.js │ │ │ ├── T4.js │ │ │ ├── TempArray.js │ │ │ ├── Tensor.js │ │ │ ├── Tree.js │ │ │ ├── TriangleData.js │ │ │ ├── Triangulator.js │ │ │ ├── Txt.js │ │ │ ├── V3.js │ │ │ ├── V3d.js │ │ │ ├── Vibration.js │ │ │ ├── XmlUtil.js │ │ │ ├── ZStream.js │ │ │ ├── ZStreamException.js │ │ │ ├── ZipData.js │ │ │ ├── ZipTools.js │ │ │ └── package.js │ │ │ ├── JV │ │ │ ├── ActionManager.js │ │ │ ├── AnimationManager.js │ │ │ ├── ChimeMessenger.js │ │ │ ├── ColorManager.js │ │ │ ├── DataManager.js │ │ │ ├── FileManager.js │ │ │ ├── GlobalSettings.js │ │ │ ├── JC.js │ │ │ ├── JmolAsyncException.js │ │ │ ├── JmolChimeMessenger.js │ │ │ ├── JmolStateCreator.js │ │ │ ├── ModelManager.js │ │ │ ├── MouseState.js │ │ │ ├── OutputManager.js │ │ │ ├── OutputManagerJS.js │ │ │ ├── PropertyManager.js │ │ │ ├── SelectionManager.js │ │ │ ├── ShapeManager.js │ │ │ ├── StateCreator.js │ │ │ ├── StateManager.js │ │ │ ├── StatusManager.js │ │ │ ├── TransformManager.js │ │ │ ├── TransformManager4D.js │ │ │ ├── Viewer.js │ │ │ ├── binding │ │ │ │ ├── Binding.js │ │ │ │ ├── DragBinding.js │ │ │ │ ├── JmolBinding.js │ │ │ │ ├── PfaatBinding.js │ │ │ │ └── RasmolBinding.js │ │ │ └── package.js │ │ │ ├── Jmol.properties │ │ │ ├── core │ │ │ ├── corebinary.js │ │ │ ├── corebinary.z.js │ │ │ ├── corebio.js │ │ │ ├── corebio.z.js │ │ │ ├── coreconsole.js │ │ │ ├── coreconsole.z.js │ │ │ ├── corejmol.js │ │ │ ├── corejmol.z.js │ │ │ ├── corejmoljsv.js │ │ │ ├── corejmoljsv.z.js │ │ │ ├── corejsv.js │ │ │ ├── corejsv.z.js │ │ │ ├── corejsvdialog.js │ │ │ ├── corejsvdialog.z.js │ │ │ ├── corejsvexport.js │ │ │ ├── corejsvexport.z.js │ │ │ ├── corejsvmenu.js │ │ │ ├── corejsvmenu.z.js │ │ │ ├── coremenu.js │ │ │ ├── coremenu.z.js │ │ │ ├── coremin.js │ │ │ ├── coremin.z.js │ │ │ ├── coreprop.js │ │ │ ├── coreprop.z.js │ │ │ ├── corepymol.js │ │ │ ├── corepymol.z.js │ │ │ ├── corescript.js │ │ │ ├── corescript.z.js │ │ │ ├── corescriptcmd.js │ │ │ ├── corescriptcmd.z.js │ │ │ ├── corescriptmath.js │ │ │ ├── corescriptmath.z.js │ │ │ ├── coresmiles.js │ │ │ ├── coresmiles.z.js │ │ │ ├── corestate.js │ │ │ ├── corestate.z.js │ │ │ ├── coresurface.js │ │ │ ├── coresurface.z.js │ │ │ ├── coreswing.js │ │ │ ├── coreswing.z.js │ │ │ ├── coresym.js │ │ │ ├── coresym.z.js │ │ │ ├── coretext.js │ │ │ ├── coretext.z.js │ │ │ ├── corezip.js │ │ │ ├── corezip.z.js │ │ │ └── package.js │ │ │ ├── img │ │ │ ├── JSmol_spinner.gif │ │ │ ├── cursor_wait.gif │ │ │ └── play_make_live.jpg │ │ │ ├── java │ │ │ ├── awt │ │ │ │ ├── Event.js │ │ │ │ └── event │ │ │ │ │ ├── InputEvent.js │ │ │ │ │ ├── KeyEvent.js │ │ │ │ │ ├── MouseEvent.js │ │ │ │ │ └── MouseWheelEvent.js │ │ │ ├── error.z.js │ │ │ ├── io │ │ │ │ ├── BufferedInputStream.js │ │ │ │ ├── BufferedOutputStream.js │ │ │ │ ├── BufferedReader.js │ │ │ │ ├── BufferedWriter.js │ │ │ │ ├── ByteArrayInputStream.js │ │ │ │ ├── ByteArrayOutputStream.js │ │ │ │ ├── CharArrayReader.js │ │ │ │ ├── CharArrayWriter.js │ │ │ │ ├── CharConversionException.js │ │ │ │ ├── Closeable.js │ │ │ │ ├── DataInput.js │ │ │ │ ├── DataInputStream.js │ │ │ │ ├── DataOutput.js │ │ │ │ ├── EOFException.js │ │ │ │ ├── Externalizable.js │ │ │ │ ├── FileInputStream.js │ │ │ │ ├── FileNotFoundException.js │ │ │ │ ├── FileOutputStream.js │ │ │ │ ├── FilterInputStream.js │ │ │ │ ├── FilterOutputStream.js │ │ │ │ ├── Flushable.js │ │ │ │ ├── IOException.js │ │ │ │ ├── InputStream.js │ │ │ │ ├── InputStreamReader.js │ │ │ │ ├── InterruptedIOException.js │ │ │ │ ├── InvalidClassException.js │ │ │ │ ├── InvalidObjectException.js │ │ │ │ ├── NotActiveException.js │ │ │ │ ├── NotSerializableException.js │ │ │ │ ├── ObjectStreamException.js │ │ │ │ ├── ObjectStreamField.js │ │ │ │ ├── OptionalDataException.js │ │ │ │ ├── OutputStream.js │ │ │ │ ├── PushbackInputStream.js │ │ │ │ ├── Reader.js │ │ │ │ ├── SequenceInputStream.js │ │ │ │ ├── Serializable.js │ │ │ │ ├── StreamCorruptedException.js │ │ │ │ ├── StringBufferInputStream.js │ │ │ │ ├── StringReader.js │ │ │ │ ├── StringWriter.js │ │ │ │ ├── SyncFailedException.js │ │ │ │ ├── UTFDataFormatException.js │ │ │ │ ├── UnsupportedEncodingException.js │ │ │ │ ├── WriteAbortedException.js │ │ │ │ └── Writer.js │ │ │ ├── lang │ │ │ │ ├── AbstractMethodError.js │ │ │ │ ├── AbstractStringBuilder.js │ │ │ │ ├── Appendable.js │ │ │ │ ├── ArithmeticException.js │ │ │ │ ├── ArrayIndexOutOfBoundsException.js │ │ │ │ ├── ArrayStoreException.js │ │ │ │ ├── AssertionError.js │ │ │ │ ├── Boolean.js │ │ │ │ ├── Byte.js │ │ │ │ ├── CharSequence.js │ │ │ │ ├── Character.js │ │ │ │ ├── Class.js │ │ │ │ ├── ClassCastException.js │ │ │ │ ├── ClassCircularityError.js │ │ │ │ ├── ClassExt.js │ │ │ │ ├── ClassFormatError.js │ │ │ │ ├── ClassLoader.js │ │ │ │ ├── ClassLoaderProgressMonitor.js │ │ │ │ ├── ClassNotFoundException.js │ │ │ │ ├── CloneNotSupportedException.js │ │ │ │ ├── Cloneable.js │ │ │ │ ├── Comparable.js │ │ │ │ ├── Console.js │ │ │ │ ├── Double.js │ │ │ │ ├── Encoding.js │ │ │ │ ├── Enum.js │ │ │ │ ├── Error.js │ │ │ │ ├── Exception.js │ │ │ │ ├── ExceptionInInitializerError.js │ │ │ │ ├── Float.js │ │ │ │ ├── IllegalAccessError.js │ │ │ │ ├── IllegalAccessException.js │ │ │ │ ├── IllegalArgumentException.js │ │ │ │ ├── IllegalMonitorStateException.js │ │ │ │ ├── IllegalStateException.js │ │ │ │ ├── IllegalThreadStateException.js │ │ │ │ ├── IncompatibleClassChangeError.js │ │ │ │ ├── IndexOutOfBoundsException.js │ │ │ │ ├── InstantiationError.js │ │ │ │ ├── InstantiationException.js │ │ │ │ ├── Integer.js │ │ │ │ ├── InternalError.js │ │ │ │ ├── InterruptedException.js │ │ │ │ ├── Iterable.js │ │ │ │ ├── LinkageError.js │ │ │ │ ├── Long.js │ │ │ │ ├── NegativeArraySizeException.js │ │ │ │ ├── NoClassDefFoundError.js │ │ │ │ ├── NoSuchFieldError.js │ │ │ │ ├── NoSuchFieldException.js │ │ │ │ ├── NoSuchMethodError.js │ │ │ │ ├── NoSuchMethodException.js │ │ │ │ ├── NullPointerException.js │ │ │ │ ├── Number.js │ │ │ │ ├── NumberFormatException.js │ │ │ │ ├── OutOfMemoryError.js │ │ │ │ ├── Readable.js │ │ │ │ ├── Runnable.js │ │ │ │ ├── RuntimeException.js │ │ │ │ ├── SecurityException.js │ │ │ │ ├── Short.js │ │ │ │ ├── StackOverflowError.js │ │ │ │ ├── StackTraceElement.js │ │ │ │ ├── StrictMath.js │ │ │ │ ├── String.js │ │ │ │ ├── StringBuffer.js │ │ │ │ ├── StringBuilder.js │ │ │ │ ├── StringBuilder.z.js │ │ │ │ ├── StringIndexOutOfBoundsException.js │ │ │ │ ├── Thread.js │ │ │ │ ├── ThreadDeath.js │ │ │ │ ├── ThreadGroup.js │ │ │ │ ├── Throwable.js │ │ │ │ ├── TypeNotPresentException.js │ │ │ │ ├── UnknownError.js │ │ │ │ ├── UnsatisfiedLinkError.js │ │ │ │ ├── UnsupportedClassVersionError.js │ │ │ │ ├── UnsupportedOperationException.js │ │ │ │ ├── VerifyError.js │ │ │ │ ├── VirtualMachineError.js │ │ │ │ ├── Void.js │ │ │ │ ├── reflect.z.js │ │ │ │ └── reflect │ │ │ │ │ ├── AccessibleObject.js │ │ │ │ │ ├── AnnotatedElement.js │ │ │ │ │ ├── Array.js │ │ │ │ │ ├── Constructor.js │ │ │ │ │ ├── Field.js │ │ │ │ │ ├── GenericDeclaration.js │ │ │ │ │ ├── GenericSignatureFormatError.js │ │ │ │ │ ├── InvocationHandler.js │ │ │ │ │ ├── InvocationTargetException.js │ │ │ │ │ ├── MalformedParameterizedTypeException.js │ │ │ │ │ ├── Member.js │ │ │ │ │ ├── Method.js │ │ │ │ │ ├── Modifier.js │ │ │ │ │ ├── Proxy.js │ │ │ │ │ ├── ReflectPermission.js │ │ │ │ │ ├── TypeVariable.js │ │ │ │ │ └── UndeclaredThrowableException.js │ │ │ ├── net │ │ │ │ ├── MalformedURLException.js │ │ │ │ ├── Parts.js │ │ │ │ ├── URL.js │ │ │ │ ├── URLConnection.js │ │ │ │ ├── URLDecoder.js │ │ │ │ ├── URLEncoder.js │ │ │ │ ├── URLStreamHandler.js │ │ │ │ ├── URLStreamHandlerFactory.js │ │ │ │ └── UnknownServiceException.js │ │ │ ├── text │ │ │ │ ├── Annotation.js │ │ │ │ └── MessageFormat.js │ │ │ └── util │ │ │ │ ├── AbstractCollection.js │ │ │ │ ├── AbstractList.js │ │ │ │ ├── AbstractMap.js │ │ │ │ ├── AbstractQueue.js │ │ │ │ ├── AbstractSequentialList.js │ │ │ │ ├── AbstractSet.js │ │ │ │ ├── ArrayList.js │ │ │ │ ├── Arrays.js │ │ │ │ ├── BitSet.js │ │ │ │ ├── Collection.js │ │ │ │ ├── Collections.js │ │ │ │ ├── Comparator.js │ │ │ │ ├── ConcurrentModificationException.js │ │ │ │ ├── Date.js │ │ │ │ ├── Dictionary.js │ │ │ │ ├── DuplicateFormatFlagsException.js │ │ │ │ ├── EmptyStackException.js │ │ │ │ ├── Enumeration.js │ │ │ │ ├── EventListener.js │ │ │ │ ├── EventListenerProxy.js │ │ │ │ ├── EventObject.js │ │ │ │ ├── FormatFlagsConversionMismatchException.js │ │ │ │ ├── FormatterClosedException.js │ │ │ │ ├── HashMap.js │ │ │ │ ├── HashSet.js │ │ │ │ ├── Hashtable.js │ │ │ │ ├── IdentityHashMap.js │ │ │ │ ├── IllegalFormatCodePointException.js │ │ │ │ ├── IllegalFormatConversionException.js │ │ │ │ ├── IllegalFormatException.js │ │ │ │ ├── IllegalFormatFlagsException.js │ │ │ │ ├── IllegalFormatPrecisionException.js │ │ │ │ ├── IllegalFormatWidthException.js │ │ │ │ ├── InputMismatchException.js │ │ │ │ ├── InvalidPropertiesFormatException.js │ │ │ │ ├── Iterator.js │ │ │ │ ├── LinkedHashMap.js │ │ │ │ ├── LinkedHashSet.js │ │ │ │ ├── LinkedList.js │ │ │ │ ├── List.js │ │ │ │ ├── ListIterator.js │ │ │ │ ├── ListResourceBundle.js │ │ │ │ ├── Locale.js │ │ │ │ ├── Map.js │ │ │ │ ├── MapEntry.js │ │ │ │ ├── MissingFormatArgumentException.js │ │ │ │ ├── MissingFormatWidthException.js │ │ │ │ ├── MissingResourceException.js │ │ │ │ ├── NoSuchElementException.js │ │ │ │ ├── Observable.js │ │ │ │ ├── Observer.js │ │ │ │ ├── Properties.js │ │ │ │ ├── Queue.js │ │ │ │ ├── Random.js │ │ │ │ ├── RandomAccess.js │ │ │ │ ├── ResourceBundle.js │ │ │ │ ├── Set.js │ │ │ │ ├── SortedMap.js │ │ │ │ ├── SortedSet.js │ │ │ │ ├── Stack.js │ │ │ │ ├── StringTokenizer.js │ │ │ │ ├── TooManyListenersException.js │ │ │ │ ├── TreeMap.js │ │ │ │ ├── TreeSet.js │ │ │ │ ├── UnknownFormatConversionException.js │ │ │ │ ├── UnknownFormatFlagsException.js │ │ │ │ ├── Vector.js │ │ │ │ ├── WeakHashMap.js │ │ │ │ ├── regex │ │ │ │ ├── MatchResult.js │ │ │ │ ├── Matcher.js │ │ │ │ ├── Pattern.js │ │ │ │ └── PatternSyntaxException.js │ │ │ │ └── zip │ │ │ │ ├── CRC32.js │ │ │ │ ├── CheckedInputStream.js │ │ │ │ ├── Checksum.js │ │ │ │ ├── Deflater.js │ │ │ │ ├── DeflaterOutputStream.js │ │ │ │ ├── GZIPInputStream.js │ │ │ │ ├── Inflater.js │ │ │ │ ├── InflaterInputStream.js │ │ │ │ ├── ZStreamRef.js │ │ │ │ ├── ZipConstants.js │ │ │ │ ├── ZipConstants64.js │ │ │ │ ├── ZipEntry.js │ │ │ │ ├── ZipException.js │ │ │ │ ├── ZipInputStream.js │ │ │ │ └── ZipOutputStream.js │ │ │ ├── javajs │ │ │ ├── J2SIgnoreImport.js │ │ │ ├── J2SRequireImport.js │ │ │ ├── api │ │ │ │ ├── BytePoster.js │ │ │ │ ├── EigenInterface.js │ │ │ │ ├── EventManager.js │ │ │ │ ├── FontManager.js │ │ │ │ ├── GenericBinaryDocument.js │ │ │ │ ├── GenericBinaryDocumentReader.js │ │ │ │ ├── GenericCifDataParser.js │ │ │ │ ├── GenericColor.js │ │ │ │ ├── GenericFileInterface.js │ │ │ │ ├── GenericImageDialog.js │ │ │ │ ├── GenericImageEncoder.js │ │ │ │ ├── GenericLineReader.js │ │ │ │ ├── GenericMenuInterface.js │ │ │ │ ├── GenericMouseInterface.js │ │ │ │ ├── GenericOutputChannel.js │ │ │ │ ├── GenericPlatform.js │ │ │ │ ├── GenericZipInputStream.js │ │ │ │ ├── GenericZipTools.js │ │ │ │ ├── HTMLElement.js │ │ │ │ ├── HTMLWindowEvent.js │ │ │ │ ├── Interface.js │ │ │ │ ├── JSInterface.js │ │ │ │ ├── JSONEncodable.js │ │ │ │ ├── JmolObjectInterface.js │ │ │ │ ├── PlatformViewer.js │ │ │ │ ├── SC.js │ │ │ │ ├── SwingController.js │ │ │ │ └── ZInputStream.js │ │ │ ├── awt │ │ │ │ ├── BorderLayout.js │ │ │ │ ├── Color.js │ │ │ │ ├── Component.js │ │ │ │ ├── Container.js │ │ │ │ ├── Dimension.js │ │ │ │ ├── Font.js │ │ │ │ ├── LayoutManager.js │ │ │ │ └── event │ │ │ │ │ ├── ActionEvent.js │ │ │ │ │ ├── ActionListener.js │ │ │ │ │ ├── Event.js │ │ │ │ │ ├── ItemEvent.js │ │ │ │ │ ├── WindowEvent.js │ │ │ │ │ └── WindowListener.js │ │ │ ├── export │ │ │ │ ├── PDFCreator.js │ │ │ │ └── PDFObject.js │ │ │ ├── img │ │ │ │ ├── BMPDecoder.js │ │ │ │ ├── CRCEncoder.js │ │ │ │ ├── GifEncoder.js │ │ │ │ ├── ImageEncoder.js │ │ │ │ ├── Jpg64Encoder.js │ │ │ │ ├── JpgEncoder.js │ │ │ │ ├── PdfEncoder.js │ │ │ │ ├── PngEncoder.js │ │ │ │ ├── PpmEncoder.js │ │ │ │ └── package.js │ │ │ └── swing │ │ │ │ ├── AbstractButton.js │ │ │ │ ├── AbstractTableModel.js │ │ │ │ ├── ButtonGroup.js │ │ │ │ ├── Cell.js │ │ │ │ ├── ColumnSelectionModel.js │ │ │ │ ├── Document.js │ │ │ │ ├── FlowLayout.js │ │ │ │ ├── Grid.js │ │ │ │ ├── GridBagConstraints.js │ │ │ │ ├── GridBagLayout.js │ │ │ │ ├── Insets.js │ │ │ │ ├── JButton.js │ │ │ │ ├── JCheckBox.js │ │ │ │ ├── JCheckBoxMenuItem.js │ │ │ │ ├── JComboBox.js │ │ │ │ ├── JComponent.js │ │ │ │ ├── JComponentImp.js │ │ │ │ ├── JContentPane.js │ │ │ │ ├── JDialog.js │ │ │ │ ├── JEditorPane.js │ │ │ │ ├── JLabel.js │ │ │ │ ├── JMenu.js │ │ │ │ ├── JMenuItem.js │ │ │ │ ├── JPanel.js │ │ │ │ ├── JPopupMenu.js │ │ │ │ ├── JRadioButtonMenuItem.js │ │ │ │ ├── JScrollPane.js │ │ │ │ ├── JSplitPane.js │ │ │ │ ├── JTable.js │ │ │ │ ├── JTextField.js │ │ │ │ ├── JTextPane.js │ │ │ │ ├── ListSelectionModel.js │ │ │ │ ├── SwingConstants.js │ │ │ │ ├── TableCellRenderer.js │ │ │ │ └── TableColumn.js │ │ │ └── org │ │ │ └── apache │ │ │ └── tools │ │ │ └── bzip2 │ │ │ ├── BZip2Constants.js │ │ │ ├── CBZip2InputStream.js │ │ │ ├── CBZip2InputStreamFactory.js │ │ │ └── CRC.js │ └── materials │ │ ├── css │ │ └── selectize.default.css │ │ ├── file_templates │ │ ├── band_structure_description.pdf │ │ └── geometry_in_description.pdf │ │ └── javascript │ │ ├── add_data.js │ │ ├── autoupdates.js │ │ ├── delete_button.js │ │ ├── expand_hide_button.js │ │ ├── fetch_subset_values.js │ │ ├── plot_data.js │ │ ├── selectize.js │ │ ├── show_atomic_structure.js │ │ └── verify_button.js ├── templates │ └── materials │ │ ├── add_data.html │ │ ├── base.html │ │ ├── dataset_buttons.html │ │ ├── dataset_contents.html │ │ ├── dataset_scripts.html │ │ ├── figshare_client_id.html │ │ ├── import_data.html │ │ ├── input_field.html │ │ ├── jsmol_card.html │ │ ├── license_note.html │ │ ├── linked_data.html │ │ ├── property_all_entries.html │ │ ├── reference_detail.html │ │ ├── reference_format.html │ │ ├── search.html │ │ ├── search_results.html │ │ └── system.html ├── templatetags │ ├── __init__.py │ └── materials_tags.py ├── tests.py ├── urls.py ├── utils.py └── views.py ├── paper 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