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60 zcmaF6o$=dtMwSNFsjoM(oK>BiVC*Pgo|%`DUtX-An^;_uTBIMInP+CATb!AmmztuN QT9G<=qqN9o8?}w50QFWEoB#j- diff --git a/_sources/install/index.md.txt b/_sources/install/index.md.txt index 0bfb2714..f21ddde8 100644 --- a/_sources/install/index.md.txt +++ b/_sources/install/index.md.txt @@ -118,7 +118,7 @@ Download Installer :text-align: center :shadow: none -:::{button-link} https://nightly.link/OpenChemistry/avogadrolibs/workflows/build_windows/master/Win64-signed.exe.zip +:::{button-link} https://nightly.link/OpenChemistry/avogadrolibs/workflows/build_cmake/master/Win64.exe.zip :color: secondary :outline: Download Nightly Build diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_script_loader.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_script_loader.html index 105edd96..c447909f 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_script_loader.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_script_loader.html @@ -559,6 +559,7 @@

Avogadro::QtGui::ScriptLoader class ScriptLoader : public QObject#

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The ScriptLoader class finds and verifies different types of python utility scripts.

+

For example, finding all the “charge” scripts auto chargeScripts = ScriptLoader::scriptList(“charge”);

Public Functions

diff --git a/install/index.html b/install/index.html index 1c263fe8..cd677b22 100644 --- a/install/index.html +++ b/install/index.html @@ -555,7 +555,7 @@ diff --git a/objects.inv b/objects.inv index aa9c7605e19ba7e080a7e6df44d38e1951327461..8fb79f3185876eca74f4f772672617a297ec724b 100644 GIT binary patch delta 111202 zcmYJab984-umu|1wr$(CZQJ%Qwv&nNOl(^dPi!X>+kW}(d-vUcdY`IwPOo0QR(G9U zwJYWnqTm#w{s9bN8)hpMJ<9~!h=OFfE&_KEs497tyvSsO#U6_z0bdL;gQIi2-PkihW&s%vBsDNeNP7K;_b$Hsf1%Ex8<+70 z_nogjImwlrN}C56cGP3#Rx@g&EWke>c8(4;+#HgN`ibDN7& zHyJO&=`{Xn-0?WQhiZIBb{E4}mR$UQ0kDXyPXGImz7}4pS{`0RYY%~7Px1vhAe8X` z2QT|Q^DAGg0+gAM``lK``@2YiqJ$IDxBmlJ5r8!#Y-Hb232DT`O?Wkw*>__?L!u=Ve&uuGhM3fIUaw*C0=&i ze!$y+%&5MMvesfnlm}if?@U{al?glHt!AF??WQaArGjtk_bWgQdyM3Kt}B_J|`ihRCuZhb!B2JoLxTZ`w@&3o(t-%cKa_d zv26I+JXs?BzIEr}cO~c$9Pp2oU+2swTbT@9L@FBR-f3N3zjDV}L2M z;TLp=LJc~=WWVKW2<8m}<$mc@m~L;O5XQ&ym$~O8c)gGR>aL2V^#=g?DL)jkm<>>^ z3&E9cTHt{FF5IgA9Y>v!y2dA%-iSW&?o4?7#GD}O>z(d-&SBhX5BAbqHAP&1u`g+@ 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"Libraries": [[9, "libraries"], [164, "libraries"]], "License": [[183, null]], "Ligands tab": [[254, "ligands-tab"]], "Line Breaks": [[1, "line-breaks"]], "Line Width": [[1, "line-width"]], "Linux ": [[9, null], [9, null], [9, null], [9, null], [9, null]], "Locating Display Types": [[211, "locating-display-types"]], "MMFF94(s)": [[230, "mmff94-s"]], "Main Commands": [[168, "main-commands"]], "Main classes": [[164, "main-classes"]], "Major New Features": [[264, null]], "Making Selections": [[216, null]], "Making a Crystal Surface Slab": [[186, null]], "Manipulation Tool": [[249, null]], "Manual clone": [[9, "manual-clone"]], "Markovnikov\u2019s Rule": [[315, null]], "Materials / Nano": [[308, "materials-nano"]], "Measure Tool": [[250, null]], "Menu organization": [[263, "menu-organization"]], "Menus": [[223, null], [223, null]], "Methods": [[170, "methods"]], "Miscellaneous": [[168, "miscellaneous"]], "Molecular Mechanics": [[221, "molecular-mechanics"]], "Molecular Orbitals": [[221, 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Downloaded PDB file": [[198, "reading-a-downloaded-pdb-file"]], "Reading a format with --read": [[176, "reading-a-format-with-read"]], "Recursive clone": [[9, "recursive-clone"]], "Redo": [[220, "redo"]], "Reducing Crystals to a Primitive Unit Cell": [[191, null]], "Referencing Members": [[1, "referencing-members"]], "Remote Teaching": [[308, "remote-teaching"]], "Remove Hydrogens": [[219, "remove-hydrogens"]], "Render Types": [[168, "render-types"]], "Rendering": [[264, "rendering"], [284, "rendering"], [285, "rendering"]], "Rendering / Display": [[291, "rendering-display"], [292, "rendering-display"]], "Requesting Full Structure of Current Molecule": [[65, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md9"], [85, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md23"], [177, "requesting-full-structure-of-current-molecule"]], "Required and optional submodules": [[9, "required-and-optional-submodules"]], "Reset Display Types": [[225, "reset-display-types"]], "Resources": [[265, "resources"]], "Retrieving necessary components": [[175, "retrieving-necessary-components"]], "Returning Data": [[172, "returning-data"]], "Returning Data in a Specific File Format": [[172, "returning-data-in-a-specific-file-format"]], "Revert to Saved": [[222, "revert-to-saved"]], "Ribbon": [[211, "ribbon"]], "Ring": [[211, "ring"]], "Running Gaussian": [[221, "running-gaussian"]], "Running executables": [[9, "running-executables"]], "Sample Input and Output": [[175, "sample-input-and-output"]], "Save": [[222, "save"]], "Save As\u2026": [[222, "save-as"]], "Save vs Export": [[263, "save-vs-export"]], "Saving Files": [[217, null]], "Scaling Crystal Cell Volume": [[192, null]], "Script Commands": [[168, "script-commands"]], "Script Entry Points": [[65, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md0"], [85, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md14"], [172, "script-entry-points"], [177, "script-entry-points"]], "Script Interfaces": [[180, null]], "Script Plugins": [[178, null]], "Script plugins": [[164, "script-plugins"]], "Section 1 \u2013 Definitions.": [[183, "section-1-definitions"]], "Section 2 \u2013 Scope.": [[183, "section-2-scope"]], "Section 3 \u2013 License Conditions.": [[183, "section-3-license-conditions"]], "Section 4 \u2013 Sui Generis Database Rights.": [[183, "section-4-sui-generis-database-rights"]], "Section 5 \u2013 Disclaimer of Warranties and Limitation of Liability.": [[183, "section-5-disclaimer-of-warranties-and-limitation-of-liability"]], "Section 6 \u2013 Term and Termination.": [[183, "section-6-term-and-termination"]], "Section 7 \u2013 Other Terms and Conditions.": [[183, "section-7-other-terms-and-conditions"]], "Section 8 \u2013 Interpretation.": [[183, "section-8-interpretation"]], "See also": [[307, "see-also"], [309, "see-also"], [311, "see-also"], [312, "see-also"], [313, "see-also"], [315, "see-also"], [316, "see-also"], [317, "see-also"]], "Select All": [[220, "select-all"], [224, "select-all"]], "Select Menu": [[224, null]], "Select None": [[220, "select-none"], [224, "select-none"]], "Select SMARTS\u2026": [[224, "select-smarts"]], "Select Solvent": [[224, "select-solvent"]], "Select by Element": [[209, "select-by-element"]], "Select by Element\u2026": [[224, "select-by-element"]], "Select by Residue": [[209, "select-by-residue"]], "Select by Residue\u2026": [[224, "select-by-residue"]], "Selected Atoms": [[172, "selected-atoms"]], "Selection Tool": [[253, null]], "Set Background Color\u2026": [[225, "set-background-color"]], "Set the conformer search options": [[226, "set-the-conformer-search-options"]], "Setting the Python path": [[228, "setting-the-python-path"]], "Setup Force Field\u2026": [[221, "setup-force-field"]], "Short Free-Form Text Parameters": [[65, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md3"], [85, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md17"], [180, "short-free-form-text-parameters"]], "Solution": 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"<no title>", "<no title>", "<no title>", "<no title>", "Coloring Part of a Molecules", "Display Types", "Different Display Styles", "Extensions", "Drawing Molecules", "Getting Started", "Introduction", "Making Selections", "Saving Files", "Guide", "Build Menu", "Edit Menu", "Extensions Menu", "File Menu", "Menus", "Select Menu", "View Menu", "Finding Conformers of Molecules", "Geometry Constraints", "Enabling additional force fields", "Optimizing Geometry", "Introduction to Molecular Mechanics", "<no title>", "<no title>", "<no title>", "<no title>", "<no title>", "<no title>", "<no title>", "<no title>", "<no title>", "<no title>", "Language", "Align Tool", "Animation Tool", "Auto-Rotate Tool", "Bond-Centric Manipulation Tool", "Draw Tool", "Tools", "Label Tool", "Manipulation Tool", "Measure Tool", "Navigation Tool", "Auto-Optimize Tool", "Selection Tool", "Template Tool", "Drawing Simple Molecules", "Tutorials", "Naming a Molecule", "Using QTAIM (Atoms in Molecules) Analysis", 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"Avogadro::Core::VariantMap", "Avogadro::Core::internal::ArrayRefContainer", "Avogadro::Io::CjsonFormat", "Avogadro::Io::CmlFormat", "Avogadro::Io::DcdFormat", "Avogadro::Io::FileFormat", "Avogadro::Io::FileFormatManager", "Avogadro::Io::GromacsFormat", "Avogadro::Io::Hdf5DataFormat", "Avogadro::Io::LammpsDataFormat", "Avogadro::Io::LammpsTrajectoryFormat", "Avogadro::Io::MMTFFormat", "Avogadro::Io::MdlFormat", "Avogadro::Io::OutcarFormat", "Avogadro::Io::PdbFormat", "Avogadro::Io::PoscarFormat", "Avogadro::Io::TrrFormat", "Avogadro::Io::XyzFormat", "Avogadro::MoleQueue::BatchJob", "Avogadro::MoleQueue::InputGenerator", "Avogadro::MoleQueue::InputGeneratorDialog", "Avogadro::MoleQueue::InputGeneratorWidget", "Avogadro::MoleQueue::MoleQueueDialog", "Avogadro::MoleQueue::MoleQueueManager", "Avogadro::MoleQueue::MoleQueueQueueListModel", "Avogadro::MoleQueue::MoleQueueWidget", "Avogadro::QtGui::BackgroundFileFormat", "Avogadro::QtGui::ContainerWidget", "Avogadro::QtGui::CustomElementDialog", "Avogadro::QtGui::ElementDetail", "Avogadro::QtGui::ElementItem", "Avogadro::QtGui::ElementTranslator", "Avogadro::QtGui::ExtensionPlugin", "Avogadro::QtGui::ExtensionPluginFactory", "Avogadro::QtGui::FileBrowseWidget", "Avogadro::QtGui::FileFormatDialog", "Avogadro::QtGui::GenericHighlighter", "Avogadro::QtGui::GenericHighlighter::Rule", "Avogadro::QtGui::HydrogenTools", "Avogadro::QtGui::InterfaceScript", "Avogadro::QtGui::InterfaceWidget", "Avogadro::QtGui::MeshGenerator", "Avogadro::QtGui::Molecule", "Avogadro::QtGui::MoleculeModel", "Avogadro::QtGui::MultiViewWidget", "Avogadro::QtGui::PeriodicTableScene", "Avogadro::QtGui::PeriodicTableView", "Avogadro::QtGui::PersistentAtom", "Avogadro::QtGui::PersistentBond", "Avogadro::QtGui::PythonScript", "Avogadro::QtGui::RWAtom", "Avogadro::QtGui::RWBond", "Avogadro::QtGui::RWMolecule", "Avogadro::QtGui::ScenePlugin", "Avogadro::QtGui::ScenePluginFactory", "Avogadro::QtGui::ScenePluginModel", 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