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--git a/_sources/install/index.md.txt b/_sources/install/index.md.txt index fb83c075..9d1db9c7 100644 --- a/_sources/install/index.md.txt +++ b/_sources/install/index.md.txt @@ -2,46 +2,246 @@ # Install -In addition to installing the latest release ({{release}}), there are nightly builds and anyone can build Avogadro from source code. +Most users will want to use the current official release ({{release}}). -:::{card} +If you have problems using the current release or want to use the latest features, try out one of the **"nightly" builds** created every night from the current source code, which contains all improvements and bug fixes since the last release. + +We're open-source, so if you would like to compile Avogadro yourself from the code, you can -- see [Building Source Code](install-build) for more on how. + + +::::::{grid} +:gutter: 0 + +% Title row +::::{grid-item} +:columns: 4 4 2 2 +% Empty +:::: + + +::::{grid-item-card} +:columns: 4 4 5 5 +:text-align: center +:shadow: none +:class-card: sd-font-weight-bold sd-bg-light sd-text-dark +Current Release ({{release}}) +:::: + + +::::{grid-item-card} +:columns: 4 4 5 5 :text-align: center -:class-header: sd-font-weight-bold sd-bg-light -{fab}`apple;fa-2x` MacOS -^^^ -{{ 'Download DMG'}} -++++ -Download Nightly Build +:shadow: none +:class-card: sd-font-weight-bold sd-bg-light sd-text-dark +Nightly Build +:::: + + +% Mac row +::::{grid-item-card} +:columns: 4 4 2 2 +:text-align: center +:shadow: none +:class-card: sd-font-weight-bold sd-bg-light sd-text-dark +{fab}`apple;fa-2x` + +macOS +:::: + + +::::{grid-item-card} +:columns: 4 4 5 5 +:text-align: center +:shadow: none + +:::{button-link} https://github.com/OpenChemistry/avogadrolibs/releases/latest/download/Avogadro2-1.99.0-Darwin-arm64.dmg +:ref-type: myst +:color: primary +:outline: +Download DMG (Apple Silicon) +::: + +:::{button-link} https://github.com/OpenChemistry/avogadrolibs/releases/latest/download/Avogadro2-1.99.0-Darwin.dmg +:color: primary +:outline: +Download DMG (Intel) ::: +:::: + -:::{card} +::::{grid-item-card} +:columns: 4 4 5 5 :text-align: center -:class-header: sd-font-weight-bold sd-bg-light -{fab}`windows;fa-2x` Windows -^^^ -{{ 'Download Installer'}} -++++ -Download Nightly Build +:shadow: none + +:::{button-link} https://nightly.link/OpenChemistry/avogadrolibs/workflows/build_cmake/master/macOS.dmg.zip +:color: secondary +:outline: +Download Nightly Build (Intel) ::: +:::: -:::{card} + +% Windows row +::::{grid-item-card} +:columns: 4 4 2 2 :text-align: center -:class-header: sd-font-weight-bold sd-bg-light -{fab}`linux;fa-2x` Linux -^^^ -{{ 'Download AppImage'}} Download Flatpak -++++ -Download Nightly AppImage -Build from source +:shadow: none +:class-card: sd-font-weight-bold sd-bg-light sd-text-dark +{fab}`windows;fa-2x` + +Windows +:::: + + +::::{grid-item-card} +:columns: 4 4 5 5 +:text-align: center +:shadow: none + +:::{button-link} https://github.com/OpenChemistry/avogadrolibs/releases/latest/download/Avogadro2-1.99.0-win64.exe +:color: primary +:outline: +Download Installer ::: +:::: -:::{card} + +::::{grid-item-card} +:columns: 4 4 5 5 :text-align: center -:class-header: sd-font-weight-bold sd-bg-light sd-text-danger -{fab}`freebsd;fa-2x` FreeBSD -^^^ -`pkg install avogadro2` +:shadow: none + +:::{button-link} https://nightly.link/OpenChemistry/avogadrolibs/workflows/build_cmake/master/Win64.exe.zip +:color: secondary +:outline: +Download Nightly Build ::: +:::: + + +% Linux row +::::{grid-item-card} +:columns: 4 4 2 2 +:text-align: center +:shadow: none +:class-card: sd-font-weight-bold sd-bg-light sd-text-dark +{fab}`linux;fa-2x` + +Linux +:::: + +::::{grid-item-card} +:columns: 4 4 5 5 +:text-align: center +:shadow: none + +:::{button-link} https://github.com/OpenChemistry/avogadrolibs/releases/latest/download/Avogadro2-x86_64.AppImage +:color: primary +:outline: +Download AppImage +::: + +:::{button-link} https://flathub.org/apps/org.openchemistry.Avogadro2 +:color: primary +:outline: +Download Flatpak +::: + +:::{button-link} https://repology.org/project/avogadro2/versions +:color: primary +:outline: +Check your distro's repositories +::: +:::: + + +::::{grid-item-card} +:columns: 4 4 5 5 +:text-align: center +:shadow: none + +:::{button-link} https://nightly.link/OpenChemistry/avogadrolibs/workflows/build_cmake/master/Avogadro2.AppImage.zip +:color: secondary +:outline: +Nightly AppImage +::: +:::: + + +% BSD row +::::{grid-item-card} +:columns: 4 4 2 2 +:text-align: center +:shadow: none +:class-card: sd-font-weight-bold sd-bg-light sd-text-dark +{fab}`freebsd;fa-2x` + +FreeBSD +:::: + +::::{grid-item-card} +:columns: 4 4 5 5 +:text-align: center +:shadow: none + +:::{button-link} https://www.freshports.org/science/avogadro2/ +:color: primary +:outline: +`pkg install avogadro2` +::: +:::: + +::::{grid-item-card} +:columns: 4 4 5 5 +:text-align: center +:shadow: none +% Empty +:::: + + +% Source code row +::::{grid-item-card} +:columns: 4 4 2 2 +:text-align: center +:shadow: none +:class-card: sd-font-weight-bold sd-bg-light sd-text-dark +{fas}`code;fa-2x` + +Source Code +:::: + +::::{grid-item-card} +:columns: 4 4 5 5 +:text-align: center +:shadow: none + +:::{button-link} https://github.com/OpenChemistry/avogadrolibs/releases/latest/ +:color: primary +:outline: +`avogadrolibs` +::: +:::{button-link} https://github.com/OpenChemistry/avogadroapp/releases/latest/ +:color: primary +:outline: +`avogadroapp` +::: +:::: + +::::{grid-item-card} +:columns: 4 4 5 5 +:text-align: center +:shadow: none + +:::{button-link} https://github.com/OpenChemistry/avogadrolibs +:color: secondary +:outline: +Avogadro on GitHub {fab}`github;fa-1x` +::: +:::: + +:::::: + ```{toctree} --- diff --git a/install/index.html b/install/index.html index 8969dcb3..0db0d71e 100644 --- a/install/index.html +++ b/install/index.html @@ -485,49 +485,142 @@

    Install#

    -

    In addition to installing the latest release (1.99.0), there are nightly builds and anyone can build Avogadro from source code.

    -
    -
    -

    MacOS

    +

    Most users will want to use the current official release (1.99.0).

    +

    If you have problems using the current release or want to use the latest features, try out one of the “nightly” builds created every night from the current source code, which contains all improvements and bug fixes since the last release.

    +

    We’re open-source, so if you would like to compile Avogadro yourself from the code, you can – see Building Source Code for more on how.

    +
    +
    +
    +
    +
    -

    Download DMG

    +

    Current Release (1.99.0)

    -
    -

    Download Nightly Build

    -
    -
    -

    Windows

    +
    +
    +
    +

    Nightly Build

    +
    +
    +
    +
    +
    +
    +

    +

    macOS

    +
    +
    +
    +
    +
    +
    +

    Download DMG (Apple Silicon)

    +

    Download DMG (Intel)

    +
    +
    +
    +
    +
    +
    +

    Download Nightly Build (Intel)

    +
    +
    +
    +
    +
    +
    +

    +

    Windows

    +
    +
    +
    +
    +
    +
    +

    Download Installer

    +
    +
    +
    +
    +
    +
    +

    Download Nightly Build

    +
    +
    +
    +
    -

    Download Installer

    +

    +

    Linux

    +
    -
    -

    Download Nightly Build

    +
    +
    +
    +
    +

    Download AppImage

    +

    Download Flatpak

    +

    Check your distro’s repositories

    -
    -
    -

    Linux

    +
    +
    -

    Download AppImage Download Flatpak

    +

    Nightly AppImage

    -
    -

    Download Nightly AppImage -Build from source

    -
    -
    -

    FreeBSD

    +
    +
    +
    +

    +

    FreeBSD

    +
    +
    +
    +

    pkg install avogadro2

    +
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    +
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    +
    +
    +
    +
    +

    +

    Source Code

    +
    +
    +
    +
    +
    +
    +

    avogadrolibs

    +

    avogadroapp

    +
    +
    +
    +
    +
    +
    +

    Avogadro on GitHub

    +
    +
    +
    +
    +
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false], [29, "_CPPv4N8Avogadro4Core8Molecule10removeBondE5Index5Index", false], [29, "_CPPv4N8Avogadro4Core8Molecule10removeBondERK8AtomTypeRK8AtomType", false], [29, "_CPPv4N8Avogadro4Core8Molecule10removeBondERK8BondType", false]], "avogadro::core::molecule::removebonds (c++ function)": [[29, "_CPPv4N8Avogadro4Core8Molecule11removeBondsE5Index", false]], "avogadro::core::molecule::residue (c++ function)": [[29, "_CPPv4N8Avogadro4Core8Molecule7residueE5Index", false]], "avogadro::core::molecule::residuecount (c++ function)": [[29, "_CPPv4NK8Avogadro4Core8Molecule12residueCountEv", false]], "avogadro::core::molecule::residues (c++ function)": [[29, "_CPPv4N8Avogadro4Core8Molecule8residuesEv", false], [29, "_CPPv4NK8Avogadro4Core8Molecule8residuesEv", false]], "avogadro::core::molecule::setatomicnumber (c++ function)": [[29, "_CPPv4N8Avogadro4Core8Molecule15setAtomicNumberE5Indexh", false]], "avogadro::core::molecule::setatomicnumbers (c++ function)": [[29, 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269, 284, 293, 305], "x1": 124, "x11": 293, "x2": [38, 124, 160, 161], "xaa": 24, "xav83": 293, "xavier": [2, 4], "xef": 299, "xmax": 159, "xmin": 159, "xml": [30, 31, 157], "xtalopt": [22, 167], "xtb": [224, 260, 292, 293], "xtc": 269, "xx": [24, 169], "xy": [22, 38, 160, 161, 182, 186, 191], "xyz": [2, 4, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 107, 110, 111, 112, 113, 114, 115, 168, 169, 170, 173, 211, 213, 259, 288, 295], "xyzformat": [49, 160, 163], "xz": [38, 160, 161], "y": [1, 20, 23, 29, 119, 124, 170, 174, 207, 215, 217, 221, 238, 240, 245, 262, 266, 269], "y1": 124, "y2": 124, "yaehmop": [260, 288, 293], "yavgech": [2, 4, 288], "year": [258, 298], "yellow": 241, "yeswechem": 298, "yet": [265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 281, 285, 286], "yield": 218, "ymax": 159, "ymin": 159, "you": [0, 3, 5, 6, 7, 8, 9, 29, 85, 96, 104, 162, 170, 172, 176, 177, 179, 182, 183, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 197, 205, 207, 209, 211, 212, 213, 214, 215, 217, 218, 220, 221, 222, 223, 224, 226, 237, 238, 240, 241, 242, 245, 246, 247, 248, 250, 251, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 288, 289, 291, 292, 299, 304], "your": [0, 1, 5, 6, 170, 176, 179, 188, 189, 193, 194, 197, 209, 211, 215, 217, 218, 220, 221, 223, 224, 225, 237, 241, 242, 245, 247, 248, 250, 251, 253, 255, 259, 260, 261, 262, 292], "yourself": 194, "yunu": [2, 4], "yuri": [2, 4], "yurivict": [290, 293], "yz": [38, 160, 161], "z": [20, 23, 29, 170, 174, 182, 186, 191, 192, 207, 215, 217, 221, 238, 240, 245, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 288], "z2": [38, 160, 161], "zackari": 4, "zaitsef": 297, "zaryob": 288, "zero": [2, 4, 22, 24, 29, 63, 80, 83, 96, 119, 170, 174, 177, 240, 293], "zeta": [38, 160, 161], "zfar": 119, "zhang": 293, "zhu": [2, 4], "zirconium": 289, "zlib": 262, "zlib1g": 262, "zmax": 159, "zmin": 159, "znear": 119, "zoom": [119, 211, 247, 265, 291, 295], "zulfikar": [2, 4], "\u00e5": [182, 186, 187, 188, 223, 242, 246, 260, 303, 306, 307], "\u00e53": 187, "\u00f6mer": [2, 4], "\u010dert\u00edk": [2, 4], "\u03b1": [207, 302], "\u03b2": [207, 302], "\u03b3": 302, "\u03b7": 250, "\u043c\u0430\u043d69\u043a": 292, "\u5218\u97ec": 291}, "titles": ["Contributing Code", "Coding Style (C++)", "<no title>", "Coding Conventions (C++)", "Thanks", "Documenting Code", "Contribute", "Translations", "Class Avogadro::Core::Array", "Class Avogadro::Core::ArraySet", "Class Avogadro::Core::ArraySet::Holder", "Class Avogadro::Core::ArraySet::PlaceHolder", "Class Avogadro::Core::Atom", "Class Avogadro::Core::AtomTemplate", "Class Avogadro::Core::AtomTyper", "Class Avogadro::Core::AvoSpglib", "Class Avogadro::Core::BasisSet", "Class Avogadro::Core::Bond", "Class Avogadro::Core::BondTemplate", "Class Avogadro::Core::Color3f", "Class Avogadro::Core::CoordinateBlockGenerator", "Class Avogadro::Core::CoordinateSet", "Class Avogadro::Core::CrystalTools", "Class Avogadro::Core::Cube", "Class Avogadro::Core::Elements", "Class Avogadro::Core::GaussianSet", "Class Avogadro::Core::GaussianSetTools", "Class Avogadro::Core::Graph", "Class Avogadro::Core::Mesh", "Class Avogadro::Core::Molecule", "Class Avogadro::Core::MoleculeDeserializer", "Class Avogadro::Core::MoleculeSerializer", "Class Avogadro::Core::Mutex", "Class Avogadro::Core::NameAtomTyper", "Class Avogadro::Core::Residue", "Class Avogadro::Core::ResidueData", "Class Avogadro::Core::RingPerceiver", "Class Avogadro::Core::SharedMutex", "Class Avogadro::Core::SlaterSet", "Class Avogadro::Core::SlaterSetTools", "Class Avogadro::Core::SpaceGroups", "Class Avogadro::Core::SymbolAtomTyper", "Class Avogadro::Core::UnitCell", "Class Avogadro::Core::Variant", "Class Avogadro::Core::VariantMap", "Class Avogadro::Core::internal::ArrayRefContainer", "Class Avogadro::Io::CjsonFormat", "Class Avogadro::Io::CmlFormat", "Class Avogadro::Io::DcdFormat", "Class Avogadro::Io::FileFormat", "Class Avogadro::Io::FileFormatManager", "Class Avogadro::Io::GromacsFormat", "Class Avogadro::Io::Hdf5DataFormat", "Class Avogadro::Io::LammpsDataFormat", "Class Avogadro::Io::LammpsTrajectoryFormat", "Class Avogadro::Io::MMTFFormat", "Class Avogadro::Io::MdlFormat", "Class Avogadro::Io::OutcarFormat", "Class Avogadro::Io::PdbFormat", "Class Avogadro::Io::PoscarFormat", "Class Avogadro::Io::TrrFormat", "Class Avogadro::Io::XyzFormat", "Class Avogadro::MoleQueue::BatchJob", "Class Avogadro::MoleQueue::InputGenerator", "Class Avogadro::MoleQueue::InputGeneratorDialog", "Class Avogadro::MoleQueue::InputGeneratorWidget", "Class Avogadro::MoleQueue::MoleQueueDialog", "Class Avogadro::MoleQueue::MoleQueueManager", "Class Avogadro::MoleQueue::MoleQueueQueueListModel", "Class Avogadro::MoleQueue::MoleQueueWidget", "Class Avogadro::QtGui::BackgroundFileFormat", "Class Avogadro::QtGui::ContainerWidget", "Class Avogadro::QtGui::CustomElementDialog", "Class Avogadro::QtGui::ElementDetail", "Class Avogadro::QtGui::ElementItem", "Class Avogadro::QtGui::ElementTranslator", "Class Avogadro::QtGui::ExtensionPlugin", "Class Avogadro::QtGui::ExtensionPluginFactory", "Class Avogadro::QtGui::FileBrowseWidget", "Class Avogadro::QtGui::FileFormatDialog", "Class Avogadro::QtGui::GenericHighlighter", "Class Avogadro::QtGui::GenericHighlighter::Rule", "Class Avogadro::QtGui::HydrogenTools", "Class Avogadro::QtGui::InterfaceScript", "Class Avogadro::QtGui::InterfaceWidget", "Class Avogadro::QtGui::MeshGenerator", "Class Avogadro::QtGui::Molecule", "Class Avogadro::QtGui::MoleculeModel", "Class Avogadro::QtGui::MultiViewWidget", "Class Avogadro::QtGui::PeriodicTableScene", "Class Avogadro::QtGui::PeriodicTableView", "Class Avogadro::QtGui::PersistentAtom", "Class Avogadro::QtGui::PersistentBond", "Class Avogadro::QtGui::PythonScript", "Class Avogadro::QtGui::RWAtom", "Class Avogadro::QtGui::RWBond", "Class Avogadro::QtGui::RWMolecule", "Class Avogadro::QtGui::ScenePlugin", "Class Avogadro::QtGui::ScenePluginFactory", "Class Avogadro::QtGui::ScenePluginModel", "Class Avogadro::QtGui::ScriptLoader", "Class Avogadro::QtGui::ToolPlugin", "Class Avogadro::QtGui::ToolPluginFactory", "Class Avogadro::QtGui::ViewFactory", "Class Avogadro::QtOpenGL::ActiveObjects", "Class Avogadro::QtOpenGL::GLWidget", "Class Avogadro::QtOpenGL::QtTextRenderStrategy", "Class Avogadro::QuantumIO::GAMESSUSOutput", "Class Avogadro::QuantumIO::GUKBasisSet", "Class Avogadro::QuantumIO::GamessukOut", "Class Avogadro::QuantumIO::GaussianCube", "Class Avogadro::QuantumIO::GaussianFchk", "Class Avogadro::QuantumIO::MoldenFile", "Class Avogadro::QuantumIO::MopacAux", "Class Avogadro::QuantumIO::NWChemJson", "Class Avogadro::QuantumIO::NWChemLog", "Class Avogadro::Rendering::AmbientOcclusionSphereGeometry", "Class Avogadro::Rendering::ArrowGeometry", "Class Avogadro::Rendering::BufferObject", "Class Avogadro::Rendering::Camera", "Class Avogadro::Rendering::Cylinder", "Class Avogadro::Rendering::CylinderGeometry", "Class Avogadro::Rendering::Drawable", "Class Avogadro::Rendering::GLRenderVisitor", "Class Avogadro::Rendering::GLRenderer", "Class Avogadro::Rendering::GeometryNode", "Class Avogadro::Rendering::GeometryVisitor", "Class Avogadro::Rendering::GroupNode", "Class Avogadro::Rendering::LineStripGeometry", "Class Avogadro::Rendering::MeshGeometry", "Class Avogadro::Rendering::Node", "Class Avogadro::Rendering::POVRayVisitor", "Class Avogadro::Rendering::Primitive", "Class Avogadro::Rendering::Scene", "Class Avogadro::Rendering::Shader", "Class Avogadro::Rendering::ShaderProgram", "Class Avogadro::Rendering::Sphere", "Class Avogadro::Rendering::SphereGeometry", "Class Avogadro::Rendering::TextLabel2D", "Class Avogadro::Rendering::TextLabel3D", "Class Avogadro::Rendering::TextLabelBase", "Class Avogadro::Rendering::TextProperties", "Class Avogadro::Rendering::TextRenderStrategy", "Class Avogadro::Rendering::Texture2D", "Class Avogadro::Rendering::TransformNode", "Class Avogadro::Rendering::VRMLVisitor", "Class Avogadro::Rendering::Visitor", "Class Avogadro::Rendering::VolumeGeometry", "Class Avogadro::TypeTraits", "Class Avogadro::TypeTraits< char >", "Class Avogadro::TypeTraits< double >", "Class Avogadro::TypeTraits< float >", "Class Avogadro::TypeTraits< int >", "Class Avogadro::TypeTraits< short >", "Class Avogadro::TypeTraits< unsigned char >", "Class Avogadro::TypeTraits< unsigned int >", "Class Avogadro::TypeTraits< unsigned short >", "Class Avogadro::VTK::VtkPlot", "Class Avogadro::VTK::vtkGLWidget", "Class vtkAvogadroActor", "Class List", "Core Classes", "Develop", "IO Classes", "MoleQueue Classes", "QtGui Classes", "Rendering Classes", "Avogadro Remote Procedure Call (RPC)", "Charges / Electrostatics", "Command Scripts", "Energy / Force Fields", "Example Plugin Script - Part 1", "Example Plugin Script - Part 2", "File Formats", "Input Generators", "Script Plugins", "Installing Script Plugins", "Script Interfaces", "VTK Classes", "License", "Avogadro: Molecular Editor and Visualization", "Table of contents", "Making a Crystal Surface Slab", "Building a Polymer Unit Cell", "Perceiving Crystall Symmetry", "Building Materials", "Building Molecule-Surface Interactions", "Reducing Crystals to a Primitive Unit Cell", "Scaling Crystal Cell Volume", "Building a Supercell", "Building a Peptide", "Building Carbon Nanotubes", "Building DNA or RNA", "Building with SMILES", "Importing from the Protein Data Bank (PDB)", "Importing Molecules by Name", "Building Molecules", "Insert Molecular Fragments", "<no title>", "<no title>", "<no title>", "<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", "Viewing Electrostatic Potential Maps", "Viewing Molecular Orbitals", "Viewing Vibrations", "What\u2019s New in Avogadro 2", "Interface Changes", "Major New Features", "Avogadro", "Building Source Code", "Install", "Version History", "Avogadro 0.1.0", "Avogadro 0.2.0", "Avogadro 0.6.0", "Avogadro 0.6.1", "Avogadro 0.8.0", "Avogadro 0.8.1", "Avogadro 0.9.0", "Avogadro 0.9.1", "Avogadro 0.9.2", "Avogadro 0.9.3", "Avogadro 0.9.4", "Avogadro 0.9.5", "Avogadro 0.9.6", "Avogadro 0.9.7", "Avogadro v0.9.8", "Avogadro v0.9.9", "Avogadro 1.0.0", "Avogadro v1.0.1", "Avogadro v1.0.2", "Avogadro v1.0.3", "Avogadro v1.1.0", "Avogadro v1.1.1", "Avogadro 1.2.0", "Avogadro v1.94.0", "Avogadro v1.95.0", "Avogadro v1.95.1", "Avogadro v1.96.0", "Avogadro v1.97.0", "Avogadro v1.98.0", "Avogadro v1.98.1", "Avogadro v1.99.0", "Acid-Base Properties of Amino Acids", "Alkene Isomers", "Educational Publications Using Avogadro", "Basic VSEPR", "1,3-diaxial interactions", "HCN dipole", "Hydrogen Clusters", "Hydrogen Molecule", "Teach", "Markovnikov\u2019s Rule", "Organic Hybridization", "Water"], "titleterms": {"": [226, 258, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 305], "0": [179, 265, 266, 267, 268, 269, 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"argument": 171, "arrai": 8, "arrayrefcontain": 45, "arrayset": [9, 10, 11], "arrowgeometri": 117, "atom": [12, 168, 169, 207, 217, 254], "atomtempl": 13, "atomtyp": 14, "attribut": 179, "auto": [240, 248], "automat": [63, 83, 174], "avogadro": [4, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 167, 180, 214, 217, 224, 258, 261, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 298], "avospglib": 15, "ax": [207, 221], "background": 221, "backgroundfileformat": 70, "ball": 207, "bank": 194, "base": [262, 296], "basic": [238, 241, 242, 244, 245, 247, 249, 250, 299], "basisset": 16, "batchjob": 62, "biochemistri": 304, "block": 174, "bond": [17, 169, 207, 241, 260], "bondtempl": 18, "boolean": [63, 83, 177], "brace": 1, "break": 1, "bufferobject": 118, "bug": [288, 289, 290, 291, 292, 293, 294, 295], "build": [183, 185, 186, 189, 190, 191, 192, 193, 196, 215, 262, 295], "builder": 215, "c": [1, 3], "calcul": [168, 170, 217], "call": 167, "camera": 119, "carbon": [191, 209, 251], "cartesian": 215, "cartoon": [207, 260], "cast": 3, "cell": [170, 183, 187, 188, 215], "center": [221, 250], "centric": 241, "chalcogen": 260, "chang": [215, 222, 255, 259, 289, 291], "char": [149, 154], "charg": [168, 170], "chem": 298, "chemic": 298, "cheminformat": 298, "chemistri": 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"Class Avogadro::TypeTraits< float >": [[151, null]], "Class Avogadro::TypeTraits< int >": [[152, null]], "Class Avogadro::TypeTraits< short >": [[153, null]], "Class Avogadro::TypeTraits< unsigned char >": [[154, null]], "Class Avogadro::TypeTraits< unsigned int >": [[155, null]], "Class Avogadro::TypeTraits< unsigned short >": [[156, null]], "Class Avogadro::VTK::VtkPlot": [[157, null]], "Class Avogadro::VTK::vtkGLWidget": [[158, null]], "Class Descriptions": [[5, "class-descriptions"]], "Class List": [[160, null]], "Class vtkAvogadroActor": [[159, null]], "Clear": [[216, "clear"]], "Cloning Repositories": [[262, "cloning-repositories"]], "Close": [[218, "close"]], "Close View": [[221, "close-view"]], "Coding Conventions (C++)": [[3, null]], "Coding Style (C++)": [[1, null]], "Coloring Part of a Molecules": [[205, null]], "Command Scripts": [[169, null]], "Commands / Extensions": [[285, "commands-extensions"], [286, "commands-extensions"]], "Computational Chemistry": [[298, "computational-chemistry"]], "Configure": [[256, "configure"]], "Conformer Search": [[217, "conformer-search"]], "Constraints": [[217, "constraints"], [223, "constraints"]], "Contribute": [[6, null]], "Contributing Code": [[0, null], [0, null]], "Contributors to Avogadro v1": [[4, "contributors-to-avogadro-v1"]], "Contributors to Avogadro v2": [[4, "contributors-to-avogadro-v2"]], "Coordinate Blocks": [[174, "coordinate-blocks"]], "Copy": [[216, "copy"]], "Copy As": [[216, "copy-as"]], "Core Classes": [[161, null]], "Create Surfaces\u2026": [[217, "create-surfaces"]], "Creating a Surface": [[189, "creating-a-surface"]], "Creating an avogadro conda environment": [[224, "creating-an-avogadro-conda-environment"]], "Creating carbon dioxide": [[209, "creating-carbon-dioxide"]], "Creating new haptic ligands": [[250, "creating-new-haptic-ligands"]], "Creating new ligands": [[250, "creating-new-ligands"]], "Creative Commons Attribution-ShareAlike 4.0 International": [[179, "creative-commons-attribution-sharealike-4-0-international"]], "Creative Commons Attribution-ShareAlike 4.0 International Public License": [[179, "creative-commons-attribution-sharealike-4-0-international-public-license"]], "Creators": [[4, "creators"]], "Credits": [[7, "credits"], [288, "credits"], [289, "credits"], [290, "credits"], [291, "credits"], [292, "credits"], [293, "credits"], [294, "credits"], [295, "credits"]], "Crystal View Options\u2026": [[221, "crystal-view-options"]], "Current Status": [[7, "current-status"]], "Cut": [[216, "cut"]], "Debian-based Distribution or Ubuntu": [[262, "debian-based-distribution-or-ubuntu"]], "Debug Information": [[221, "debug-information"]], "Debugging": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md13"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md27"], [169, "debugging"], [174, "debugging"]], "Declaring Variables": [[1, "declaring-variables"]], "Depende\nKnown Issues & Limitations": [[273, "depende-known-issues-limitations"]], "Detach View": [[221, "detach-view"]], "Develop": [[162, null]], "Different Display Styles": [[207, null]], "Dipole": [[207, "dipole"]], "Directories": [[176, "directories"]], "Display Axes": [[221, "display-axes"]], "Display Types": [[206, null]], "Documenting Code": [[5, null]], "Draw Tool": [[242, null]], "Drawing Molecules": [[209, null]], "Drawing Simple Molecules": [[251, null]], "Duplicate View": [[221, "duplicate-view"]], "Edit Menu": [[216, null]], "Educational Publications Using Avogadro": [[298, null]], "Enabling additional force fields": [[224, null]], "Energy / Force Fields": [[170, null]], "Error Handling": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md12"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md26"], [174, "error-handling"]], "Example": [[223, "example"]], "Example Plugin Script - Part 1": [[171, null]], "Example Plugin Script - Part 2": [[172, null]], "Example cont.": [[223, "example-cont"]], "Existing files": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md4"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md18"], [177, "existing-files"]], "Export": [[218, "export"]], "Export Macro Headers": [[3, "export-macro-headers"]], "Exporting to other formats": [[213, "exporting-to-other-formats"]], "Extensions": [[208, null], [278, "extensions"], [279, "extensions"]], "Extensions Menu": [[217, null]], "External Scripting": [[162, "external-scripting"]], "Features": [[288, "features"]], "Fedora 39": [[262, "fedora-39"]], "File Formats": [[173, null]], "File Menu": [[218, null]], "File Naming": [[1, "file-naming"]], "Finding Conformers of Molecules": [[222, null]], "Finding Qt, Windows Generators": [[262, "finding-qt-windows-generators"]], "First steps": [[251, "first-steps"]], "Fix Selected Atoms": [[217, "fix-selected-atoms"]], "Fixed Mutually-Exclusive Parameter Lists": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md2"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md16"]], "Fixed String Lists (Pop-up menus)": [[177, "fixed-string-lists-pop-up-menus"]], "Fixing & Ignoring Selections": [[248, "fixing-ignoring-selections"]], "Flexible electrostatics models": [[260, "flexible-electrostatics-models"]], "Floating-point values": [[177, "floating-point-values"]], "Force": [[207, "force"]], "Force Fields & Algorithms": [[248, "force-fields-algorithms"]], "Full Screen": [[221, "full-screen"]], "Function Descriptions": [[5, "function-descriptions"]], "Funding": [[4, "funding"]], "Further reading": [[296, "further-reading"], [299, "further-reading"], [305, "further-reading"], [306, "further-reading"]], "GAFF": [[226, "gaff"]], "General Chemistry": [[304, "general-chemistry"]], "General \u201cHow To\u201d for Plugins": [[217, "general-how-to-for-plugins"]], "Generating Electrostatic Potentials with --potential": [[168, "generating-electrostatic-potentials-with-potential"]], "Geometry Constraints": [[223, null]], "Getting Started": [[210, null]], "Groups tab": [[250, "groups-tab"]], "Guide": [[214, null]], "HCN dipole": [[301, null]], "Handling User Selections: --generate-input": [[174, "handling-user-selections-generate-input"]], "Handling User Selections: \u2013generate-input": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md10"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md24"]], "Hemoglobin": [[205, "hemoglobin"]], "Highlights (tldr)": [[292, "highlights-tldr"]], "How to Help": [[6, "how-to-help"]], "Hydrogen Bond": [[207, "hydrogen-bond"]], "Hydrogen Clusters": [[302, null]], "Hydrogen Molecule": [[303, null]], "IO Classes": [[163, null]], "Identify the Format with --metadata": [[173, "identify-the-format-with-metadata"]], "Identify the Script with --metadata": [[168, "identify-the-script-with-metadata"], [170, "identify-the-script-with-metadata"]], "Ignore Selection": [[217, "ignore-selection"]], "Import": [[218, "import"]], "Import the appropriate crystal structure.": [[182, "import-the-appropriate-crystal-structure"]], "Importing Directly": [[194, "importing-directly"]], "Importing Molecules by Name": [[195, null]], "Importing by name": [[211, "importing-by-name"]], "Importing from the Protein Data Bank (PDB)": [[194, null]], "Including Headers": [[3, "including-headers"]], "Indentation": [[1, "indentation"]], "Inheritance and the \u201cvirtual\u201d Keyword": [[1, "inheritance-and-the-virtual-keyword"]], "Input Arguments": [[171, "input-arguments"]], "Input Generators": [[174, null]], "Input generators": [[259, "input-generators"]], "Insert": [[215, "insert"]], "Insert Molecular Fragments": [[197, null]], "Install": [[263, null]], "Installing Script Plugins": [[176, null]], "Integer Values": [[177, "integer-values"]], "Interface": [[282, "interface"], [285, "interface"], [286, "interface"]], "Interface Changes": [[259, null]], "Introduction": [[211, null]], "Introduction to Molecular Mechanics": [[226, null]], "Invert Chirality": [[215, "invert-chirality"]], "Invert Selection": [[220, "invert-selection"]], "Issues": [[302, "issues"]], "Known Issue": [[283, "known-issue"]], "Known Issues & Limitations": [[265, "known-issues-limitations"], [266, "known-issues-limitations"], [267, "known-issues-limitations"], [268, "known-issues-limitations"], [269, "known-issues-limitations"], [270, "known-issues-limitations"], [271, "known-issues-limitations"], [272, "known-issues-limitations"], [274, "known-issues-limitations"], [275, "known-issues-limitations"], [276, "known-issues-limitations"], [277, "known-issues-limitations"], [278, "known-issues-limitations"], [279, "known-issues-limitations"], [280, "known-issues-limitations"], [281, "known-issues-limitations"], [285, "known-issues-limitations"], [286, "known-issues-limitations"]], "Label": [[207, "label"]], "Label Tool": [[244, null]], "Language": [[237, null]], "Lattice Vectors and Fractional Coordinates": [[170, "lattice-vectors-and-fractional-coordinates"]], "Layers": [[260, "layers"]], "Libraries": [[162, "libraries"]], "License": [[179, null]], "Ligands tab": [[250, "ligands-tab"]], "Line Breaks": [[1, "line-breaks"]], "Line Width": [[1, "line-width"]], "Locating Display Types": [[207, "locating-display-types"]], "MMFF94(s)": [[226, "mmff94-s"]], "Main Classes": [[162, "main-classes"]], "Major New Features": [[260, null]], "Making Selections": [[212, null]], "Making a Crystal Surface Slab": [[182, null]], "Manipulation Tool": [[245, null]], "Markovnikov\u2019s Rule": [[305, null]], "Materials / Nano": [[298, "materials-nano"]], "Measure Tool": [[246, null]], "Menu organization": [[259, "menu-organization"]], "Menus": [[219, null], [219, null]], "Methods": [[167, "methods"]], "MoleQueue Classes": [[164, null]], "Molecular Mechanics": [[217, "molecular-mechanics"]], "Molecular Orbitals": [[217, "molecular-orbitals"]], "Namespaces": [[3, "namespaces"]], "Naming a Molecule": [[253, null]], "Nanotube Builder\u2026": [[215, "nanotube-builder"]], "Navigation": [[211, "navigation"]], "Navigation Tool": [[247, null]], "New": [[218, "new"]], "New View": [[221, "new-view"]], "New Window: Create our Molecule": [[186, "new-window-create-our-molecule"]], "New analysis tools": [[260, "new-analysis-tools"]], "New and updated interfaces to external programs": [[260, "new-and-updated-interfaces-to-external-programs"]], "New cartoon/ribbon styles for proteins": [[260, "new-cartoon-ribbon-styles-for-proteins"]], "New non-bonded rendering analysis, including hydrogen bonds, halogen bonds, and chalcogen bonds": [[260, "new-non-bonded-rendering-analysis-including-hydrogen-bonds-halogen-bonds-and-chalcogen-bonds"]], "New real-time shadows and depth effects": [[260, "new-real-time-shadows-and-depth-effects"]], "New \u201cclose-contact\u201d rendering": [[260, "new-close-contact-rendering"]], "Normal Development": [[262, "normal-development"]], "Open": [[218, "open"]], "Open Recent": [[218, "open-recent"]], "Open a Crystal File": [[184, "open-a-crystal-file"]], "Opening a file": [[211, "opening-a-file"]], "Operation Function": [[172, "operation-function"]], "Optimization": [[225, null]], "Optimizations": [[223, "optimizations"]], "Optimize Geometry": [[217, "optimize-geometry"]], "Optimize the geometry": [[222, "optimize-the-geometry"]], "Optimizing Geometry": [[225, null]], "Organic Chemistry": [[304, "organic-chemistry"]], "Organic Hybridization": [[306, null]], "Other Projects": [[4, "other-projects"]], "Pane options": [[238, "pane-options"], [242, "pane-options"], [244, "pane-options"], [245, "pane-options"], [247, "pane-options"], [249, "pane-options"], [250, "pane-options"]], "Parentheses": [[1, "parentheses"]], "Paste": [[216, "paste"]], "Perceiving Crystall Symmetry": [[184, null]], "Pick a search method and start the search": [[222, "pick-a-search-method-and-start-the-search"]], "Plugin Packages and Repositories": [[176, "plugin-packages-and-repositories"]], "Polygon": [[207, "polygon"]], "Prerequisites": [[262, "prerequisites"]], "Private Headers": [[3, "private-headers"]], "Projection": [[221, "projection"]], "Properties": [[221, "properties"]], "Providing Input to Run Command": [[172, "providing-input-to-run-command"]], "Publications": [[304, "publications"]], "Python": [[278, "python"]], "Python commands and extensions": [[260, "python-commands-and-extensions"]], "Python scripting and Jupyter integration": [[260, "python-scripting-and-jupyter-integration"]], "QTAIM (Quantum Theory of Atoms in Molecules)": [[207, "qtaim-quantum-theory-of-atoms-in-molecules"], [217, "qtaim-quantum-theory-of-atoms-in-molecules"]], "Qt Headers": [[3, "qt-headers"]], "QtGui Classes": [[165, null]], "RPC Protocol": [[167, "rpc-protocol"]], "Reading a Downloaded PDB file": [[194, "reading-a-downloaded-pdb-file"]], "Reading a format with --read": [[173, "reading-a-format-with-read"]], "Redo": [[216, "redo"]], "Reducing Crystals to a Primitive Unit Cell": [[187, null]], "Referencing Members": [[1, "referencing-members"]], "Remote Teaching": [[298, "remote-teaching"]], "Remove Hydrogens": [[215, "remove-hydrogens"]], "Rendering": [[260, "rendering"], [278, "rendering"], [279, "rendering"]], "Rendering / Display": [[285, "rendering-display"], [286, "rendering-display"]], "Rendering Classes": [[166, null]], "Requesting Full Structure of Current Molecule": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md9"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md23"], [174, "requesting-full-structure-of-current-molecule"]], "Reset Display Types": [[221, "reset-display-types"]], "Resources": [[261, "resources"]], "Retrieving necessary components": [[172, "retrieving-necessary-components"]], "Returning Data": [[169, "returning-data"]], "Returning Data in a Specific File Format": [[169, "returning-data-in-a-specific-file-format"]], "Revert to Saved": [[218, "revert-to-saved"]], "Ribbon": [[207, "ribbon"]], "Ring": [[207, "ring"]], "Running Executables": [[262, "running-executables"]], "Running Gaussian": [[217, "running-gaussian"]], "Sample Input and Output": [[172, "sample-input-and-output"]], "Save": [[218, "save"]], "Save As\u2026": [[218, "save-as"]], "Save vs Export": [[259, "save-vs-export"]], "Saving Files": [[213, null]], "Scaling Crystal Cell Volume": [[188, null]], "Script Entry Points": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md0"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md14"], [169, "script-entry-points"], [174, "script-entry-points"]], "Script Interfaces": [[177, null]], "Script Plugins": [[162, "script-plugins"], [175, null]], "Section 1 \u2013 Definitions.": [[179, "section-1-definitions"]], "Section 2 \u2013 Scope.": [[179, "section-2-scope"]], "Section 3 \u2013 License Conditions.": [[179, "section-3-license-conditions"]], "Section 4 \u2013 Sui Generis Database Rights.": [[179, "section-4-sui-generis-database-rights"]], "Section 5 \u2013 Disclaimer of Warranties and Limitation of Liability.": [[179, "section-5-disclaimer-of-warranties-and-limitation-of-liability"]], "Section 6 \u2013 Term and Termination.": [[179, "section-6-term-and-termination"]], "Section 7 \u2013 Other Terms and Conditions.": [[179, "section-7-other-terms-and-conditions"]], "Section 8 \u2013 Interpretation.": [[179, "section-8-interpretation"]], "See also": [[297, "see-also"], [299, "see-also"], [301, "see-also"], [302, "see-also"], [303, "see-also"], [305, "see-also"], [306, "see-also"], [307, "see-also"]], "Select All": [[216, "select-all"], [220, "select-all"]], "Select Menu": [[220, null]], "Select None": [[216, "select-none"], [220, "select-none"]], "Select SMARTS\u2026": [[220, "select-smarts"]], "Select Solvent": [[220, "select-solvent"]], "Select by Element": [[205, "select-by-element"]], "Select by Element\u2026": [[220, "select-by-element"]], "Select by Residue": [[205, "select-by-residue"]], "Select by Residue\u2026": [[220, "select-by-residue"]], "Selected Atoms": [[169, "selected-atoms"]], "Selection Tool": [[249, null]], "Set Background Color\u2026": [[221, "set-background-color"]], "Set the conformer search options": [[222, "set-the-conformer-search-options"]], "Setting the Python path": [[224, "setting-the-python-path"]], "Setup Force Field\u2026": [[217, "setup-force-field"]], "Short Free-Form Text Parameters": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md3"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md17"], [177, "short-free-form-text-parameters"]], "Solution": [[296, "solution"], [300, "solution"], [302, "solution"], [303, "solution"], [305, "solution"], [306, "solution"], [307, "solution"]], "Solvent-accessible and solvent-excluded surfaces": [[260, "solvent-accessible-and-solvent-excluded-surfaces"]], "Sources": [[302, "sources"], [303, "sources"], [307, "sources"]], "Special 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237, 258, 259, 260, 262, 263, 294, 295, 304], "wrangl": 162, "wrap": [1, 42, 96, 143, 159, 160, 166], "wrapatomstocel": [96, 160, 165], "wrapatomstounitcel": [22, 160, 161], "wrapcartesian": [42, 160, 161], "wrapfract": [42, 160, 161], "wrapper": [32, 37, 64, 66, 70], "wrappingopt": [143, 160, 166], "wrappingt": [143, 160, 166], "wraptocel": 40, "wrench": [205, 207, 223, 255], "write": [1, 6, 8, 16, 37, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 70, 79, 83, 93, 104, 107, 110, 111, 112, 113, 114, 115, 160, 163, 165, 170, 171, 174, 213, 261, 265, 269, 291, 292, 293, 295], "writedataset": [52, 160, 163], "writefil": [49, 50, 160, 163], "writefilefilt": 79, "writeformat": [79, 160, 165], "writemolecul": [49, 160, 163], "writer": [52, 76, 79, 162], "writestr": [49, 50, 160, 163], "written": [19, 46, 47, 48, 49, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 65, 83, 85, 107, 110, 111, 112, 113, 114, 115, 169, 174, 177, 179, 255], "wrong": [1, 3, 237, 289], "www": 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29, 85, 96, 104, 162, 170, 172, 176, 177, 179, 182, 183, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 197, 205, 207, 209, 211, 212, 213, 214, 215, 217, 218, 220, 221, 222, 223, 224, 226, 237, 238, 240, 241, 242, 245, 246, 247, 248, 250, 251, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 288, 289, 291, 292, 299, 304], "your": [0, 1, 5, 6, 170, 176, 179, 188, 189, 193, 194, 197, 209, 211, 215, 217, 218, 220, 221, 223, 224, 225, 237, 241, 242, 245, 247, 248, 250, 251, 253, 255, 259, 260, 261, 262, 263, 292], "yourself": [194, 263], "yunu": [2, 4], "yuri": [2, 4], "yurivict": [290, 293], "yz": [38, 160, 161], "z": [20, 23, 29, 170, 174, 182, 186, 191, 192, 207, 215, 217, 221, 238, 240, 245, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 288], "z2": [38, 160, 161], "zackari": 4, "zaitsef": 297, "zaryob": 288, "zero": [2, 4, 22, 24, 29, 63, 80, 83, 96, 119, 170, 174, 177, 240, 293], "zeta": [38, 160, 161], "zfar": 119, "zhang": 293, "zhu": [2, 4], "zirconium": 289, "zlib": 262, "zlib1g": 262, "zmax": 159, "zmin": 159, "znear": 119, "zoom": [119, 211, 247, 265, 291, 295], "zulfikar": [2, 4], "\u00e5": [182, 186, 187, 188, 223, 242, 246, 260, 303, 306, 307], "\u00e53": 187, "\u00f6mer": [2, 4], "\u010dert\u00edk": [2, 4], "\u03b1": [207, 302], "\u03b2": [207, 302], "\u03b3": 302, "\u03b7": 250, "\u043c\u0430\u043d69\u043a": 292, "\u5218\u97ec": 291}, "titles": ["Contributing Code", "Coding Style (C++)", "<no title>", "Coding Conventions (C++)", "Thanks", "Documenting Code", "Contribute", "Translations", "Class Avogadro::Core::Array", "Class Avogadro::Core::ArraySet", "Class Avogadro::Core::ArraySet::Holder", "Class Avogadro::Core::ArraySet::PlaceHolder", "Class Avogadro::Core::Atom", "Class Avogadro::Core::AtomTemplate", "Class Avogadro::Core::AtomTyper", "Class Avogadro::Core::AvoSpglib", "Class Avogadro::Core::BasisSet", "Class Avogadro::Core::Bond", "Class Avogadro::Core::BondTemplate", "Class Avogadro::Core::Color3f", "Class Avogadro::Core::CoordinateBlockGenerator", "Class Avogadro::Core::CoordinateSet", "Class Avogadro::Core::CrystalTools", "Class Avogadro::Core::Cube", "Class Avogadro::Core::Elements", "Class Avogadro::Core::GaussianSet", "Class Avogadro::Core::GaussianSetTools", "Class Avogadro::Core::Graph", "Class Avogadro::Core::Mesh", "Class Avogadro::Core::Molecule", "Class Avogadro::Core::MoleculeDeserializer", "Class Avogadro::Core::MoleculeSerializer", "Class Avogadro::Core::Mutex", "Class Avogadro::Core::NameAtomTyper", "Class Avogadro::Core::Residue", "Class Avogadro::Core::ResidueData", "Class Avogadro::Core::RingPerceiver", "Class Avogadro::Core::SharedMutex", "Class Avogadro::Core::SlaterSet", "Class Avogadro::Core::SlaterSetTools", "Class Avogadro::Core::SpaceGroups", "Class Avogadro::Core::SymbolAtomTyper", "Class Avogadro::Core::UnitCell", "Class Avogadro::Core::Variant", "Class Avogadro::Core::VariantMap", "Class Avogadro::Core::internal::ArrayRefContainer", "Class Avogadro::Io::CjsonFormat", "Class Avogadro::Io::CmlFormat", "Class Avogadro::Io::DcdFormat", "Class Avogadro::Io::FileFormat", "Class Avogadro::Io::FileFormatManager", "Class Avogadro::Io::GromacsFormat", "Class Avogadro::Io::Hdf5DataFormat", "Class Avogadro::Io::LammpsDataFormat", "Class Avogadro::Io::LammpsTrajectoryFormat", "Class Avogadro::Io::MMTFFormat", "Class Avogadro::Io::MdlFormat", "Class Avogadro::Io::OutcarFormat", "Class Avogadro::Io::PdbFormat", "Class Avogadro::Io::PoscarFormat", "Class Avogadro::Io::TrrFormat", "Class Avogadro::Io::XyzFormat", "Class Avogadro::MoleQueue::BatchJob", "Class Avogadro::MoleQueue::InputGenerator", "Class Avogadro::MoleQueue::InputGeneratorDialog", "Class Avogadro::MoleQueue::InputGeneratorWidget", "Class Avogadro::MoleQueue::MoleQueueDialog", "Class Avogadro::MoleQueue::MoleQueueManager", "Class Avogadro::MoleQueue::MoleQueueQueueListModel", "Class Avogadro::MoleQueue::MoleQueueWidget", "Class Avogadro::QtGui::BackgroundFileFormat", "Class Avogadro::QtGui::ContainerWidget", "Class Avogadro::QtGui::CustomElementDialog", "Class Avogadro::QtGui::ElementDetail", "Class Avogadro::QtGui::ElementItem", "Class Avogadro::QtGui::ElementTranslator", "Class Avogadro::QtGui::ExtensionPlugin", "Class Avogadro::QtGui::ExtensionPluginFactory", "Class Avogadro::QtGui::FileBrowseWidget", "Class Avogadro::QtGui::FileFormatDialog", "Class Avogadro::QtGui::GenericHighlighter", "Class Avogadro::QtGui::GenericHighlighter::Rule", "Class Avogadro::QtGui::HydrogenTools", "Class Avogadro::QtGui::InterfaceScript", "Class Avogadro::QtGui::InterfaceWidget", "Class Avogadro::QtGui::MeshGenerator", "Class Avogadro::QtGui::Molecule", "Class Avogadro::QtGui::MoleculeModel", "Class Avogadro::QtGui::MultiViewWidget", "Class Avogadro::QtGui::PeriodicTableScene", "Class Avogadro::QtGui::PeriodicTableView", "Class Avogadro::QtGui::PersistentAtom", "Class Avogadro::QtGui::PersistentBond", "Class Avogadro::QtGui::PythonScript", "Class Avogadro::QtGui::RWAtom", "Class Avogadro::QtGui::RWBond", "Class Avogadro::QtGui::RWMolecule", "Class Avogadro::QtGui::ScenePlugin", "Class Avogadro::QtGui::ScenePluginFactory", "Class Avogadro::QtGui::ScenePluginModel", "Class Avogadro::QtGui::ScriptLoader", "Class Avogadro::QtGui::ToolPlugin", "Class Avogadro::QtGui::ToolPluginFactory", "Class Avogadro::QtGui::ViewFactory", "Class Avogadro::QtOpenGL::ActiveObjects", "Class Avogadro::QtOpenGL::GLWidget", "Class Avogadro::QtOpenGL::QtTextRenderStrategy", "Class Avogadro::QuantumIO::GAMESSUSOutput", "Class Avogadro::QuantumIO::GUKBasisSet", "Class Avogadro::QuantumIO::GamessukOut", "Class Avogadro::QuantumIO::GaussianCube", "Class Avogadro::QuantumIO::GaussianFchk", "Class Avogadro::QuantumIO::MoldenFile", "Class Avogadro::QuantumIO::MopacAux", "Class Avogadro::QuantumIO::NWChemJson", "Class Avogadro::QuantumIO::NWChemLog", "Class Avogadro::Rendering::AmbientOcclusionSphereGeometry", "Class Avogadro::Rendering::ArrowGeometry", "Class Avogadro::Rendering::BufferObject", "Class Avogadro::Rendering::Camera", "Class Avogadro::Rendering::Cylinder", "Class Avogadro::Rendering::CylinderGeometry", "Class Avogadro::Rendering::Drawable", "Class Avogadro::Rendering::GLRenderVisitor", "Class Avogadro::Rendering::GLRenderer", "Class Avogadro::Rendering::GeometryNode", "Class Avogadro::Rendering::GeometryVisitor", "Class Avogadro::Rendering::GroupNode", "Class Avogadro::Rendering::LineStripGeometry", "Class Avogadro::Rendering::MeshGeometry", "Class Avogadro::Rendering::Node", "Class Avogadro::Rendering::POVRayVisitor", "Class Avogadro::Rendering::Primitive", "Class Avogadro::Rendering::Scene", "Class Avogadro::Rendering::Shader", "Class Avogadro::Rendering::ShaderProgram", "Class Avogadro::Rendering::Sphere", "Class Avogadro::Rendering::SphereGeometry", "Class Avogadro::Rendering::TextLabel2D", "Class Avogadro::Rendering::TextLabel3D", "Class Avogadro::Rendering::TextLabelBase", "Class Avogadro::Rendering::TextProperties", "Class Avogadro::Rendering::TextRenderStrategy", "Class Avogadro::Rendering::Texture2D", "Class Avogadro::Rendering::TransformNode", "Class Avogadro::Rendering::VRMLVisitor", "Class Avogadro::Rendering::Visitor", "Class Avogadro::Rendering::VolumeGeometry", "Class Avogadro::TypeTraits", "Class Avogadro::TypeTraits< char >", "Class Avogadro::TypeTraits< double >", "Class Avogadro::TypeTraits< float >", "Class Avogadro::TypeTraits< int >", "Class Avogadro::TypeTraits< short >", "Class Avogadro::TypeTraits< unsigned char >", "Class Avogadro::TypeTraits< unsigned int >", "Class Avogadro::TypeTraits< unsigned short >", "Class Avogadro::VTK::VtkPlot", "Class Avogadro::VTK::vtkGLWidget", "Class vtkAvogadroActor", "Class List", "Core Classes", "Develop", "IO Classes", "MoleQueue Classes", "QtGui Classes", "Rendering Classes", "Avogadro Remote Procedure Call (RPC)", "Charges / Electrostatics", "Command Scripts", "Energy / Force Fields", "Example Plugin Script - Part 1", "Example Plugin Script - Part 2", "File Formats", "Input Generators", "Script Plugins", "Installing Script Plugins", "Script Interfaces", "VTK Classes", "License", "Avogadro: Molecular Editor and Visualization", "Table of contents", "Making a Crystal Surface Slab", "Building a Polymer Unit Cell", "Perceiving Crystall Symmetry", "Building Materials", "Building Molecule-Surface Interactions", "Reducing Crystals to a Primitive Unit Cell", "Scaling Crystal Cell Volume", "Building a Supercell", "Building a Peptide", "Building Carbon Nanotubes", "Building DNA or RNA", "Building with SMILES", "Importing from the Protein Data Bank (PDB)", "Importing Molecules by Name", "Building Molecules", "Insert Molecular Fragments", "<no title>", "<no title>", "<no title>", "<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", "Viewing Electrostatic Potential Maps", "Viewing Molecular Orbitals", "Viewing Vibrations", "What\u2019s New in Avogadro 2", 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