ChemSharp.Molecules.HelixToolkit 1.0.15

.NET 6.0
There is a newer prerelease version of this package available.
See the version list below for details.
Install-Package ChemSharp.Molecules.HelixToolkit -Version 1.0.15
dotnet add package ChemSharp.Molecules.HelixToolkit --version 1.0.15
<PackageReference Include="ChemSharp.Molecules.HelixToolkit" Version="1.0.15" />
For projects that support PackageReference, copy this XML node into the project file to reference the package.
paket add ChemSharp.Molecules.HelixToolkit --version 1.0.15
The NuGet Team does not provide support for this client. Please contact its maintainers for support.
#r "nuget: ChemSharp.Molecules.HelixToolkit, 1.0.15"
#r directive can be used in F# Interactive, C# scripting and .NET Interactive. Copy this into the interactive tool or source code of the script to reference the package.
// Install ChemSharp.Molecules.HelixToolkit as a Cake Addin
#addin nuget:?package=ChemSharp.Molecules.HelixToolkit&version=1.0.15

// Install ChemSharp.Molecules.HelixToolkit as a Cake Tool
#tool nuget:?package=ChemSharp.Molecules.HelixToolkit&version=1.0.15
The NuGet Team does not provide support for this client. Please contact its maintainers for support.

<p align="center"> <img src="https://raw.githubusercontent.com/JensKrumsieck/ChemSharp/master/icon.png" height="125px" /></p> <h1 align="center" >ChemSharp.Molecules.HelixToolkit</h1>

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HelixToolkit Bindings for ChemSharp.Molecules (WPF)

Add the necessary xmlns to your .xaml file and create a Viewport3D Element:

<Window
xmlns:h="http://helix-toolkit.org/wpf" 
xmlns:controls="clr-namespace:ChemSharp.Molecules.HelixToolkit.Controls;assembly=ChemSharp.Molecules.HelixToolkit"
>
<...>
<h:HelixViewport3D x:Name="Viewport3D"  
                   ShowViewCube="False" ShowCoordinateSystem="True" 
                   ZoomExtentsWhenLoaded="True" IsHeadLightEnabled="True">
    <h:DefaultLights/>
    <h:DirectionalHeadLight/>
    <controls:ItemsVisual3D ItemsSource="{Binding Atoms3D}"/>
    <controls:ItemsVisual3D ItemsSource="{Binding Bonds3D}"/>
</h:HelixViewport3D>

This is how an example code-behind file could look like:

public partial class MainWindow : Window
    {
        public MainWindow()
        {
            InitializeComponent();
            DataContext = this;
            var filename = @"F:\Repositories\ChemSharp\ChemSharp.Tests\files\ptcor.mol2";
            Molecule = MoleculeFactory.Create(filename);
            Atoms3D = new ObservableCollection<Atom3D>(Molecule.Atoms.Select(s => new Atom3D(s)));
            Bonds3D = new ObservableCollection<Bond3D>(Molecule.Bonds.Select(s => new Bond3D(s)));
        }

        public Molecule Molecule { get; }

        /// <summary>
        /// 3D Representation of Atoms
        /// </summary>
        public ObservableCollection<Atom3D> Atoms3D { get; }
        /// <summary>
        /// 3D Representation of Bonds
        /// </summary>
        public ObservableCollection<Bond3D> Bonds3D { get; }
    }

Supported Files:

  • Import (XYZ, CIF (crystallographic information file, CCDC), MOL2 (TRIPOS Mol2), PDB (Protein Data Bank file), CDXML (Single Molecule only))
  • Export (XYZ, MOL2)

<hr/>

Used Libraries:
Compatibility
  • .NET 6.0, .NET5.0
Product Versions
.NET net6.0-windows7.0
Compatible target framework(s)
Additional computed target framework(s)
Learn more about Target Frameworks and .NET Standard.

NuGet packages

This package is not used by any NuGet packages.

GitHub repositories

This package is not used by any popular GitHub repositories.

Version Downloads Last updated
1.1.0-beta.1 29 5/16/2022
1.0.15 135 1/27/2022
1.0.14 82 1/24/2022