ChemSharp.Molecules.HelixToolkit 2.1.1

dotnet add package ChemSharp.Molecules.HelixToolkit --version 2.1.1                
NuGet\Install-Package ChemSharp.Molecules.HelixToolkit -Version 2.1.1                
This command is intended to be used within the Package Manager Console in Visual Studio, as it uses the NuGet module's version of Install-Package.
<PackageReference Include="ChemSharp.Molecules.HelixToolkit" Version="2.1.1" />                
For projects that support PackageReference, copy this XML node into the project file to reference the package.
paket add ChemSharp.Molecules.HelixToolkit --version 2.1.1                
#r "nuget: ChemSharp.Molecules.HelixToolkit, 2.1.1"                
#r directive can be used in F# Interactive and Polyglot Notebooks. 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=2.1.1

// Install ChemSharp.Molecules.HelixToolkit as a Cake Tool
#tool nuget:?package=ChemSharp.Molecules.HelixToolkit&version=2.1.1                

<p align="center"> <img src="" 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:

<h:HelixViewport3D x:Name="Viewport3D"  
                   ShowViewCube="False" ShowCoordinateSystem="True" 
                   ZoomExtentsWhenLoaded="True" IsHeadLightEnabled="True">
    <controls:ItemsVisual3D ItemsSource="{Binding Atoms3D}"/>
    <controls:ItemsVisual3D ItemsSource="{Binding Bonds3D}"/>

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

public partial class MainWindow : Window
        public MainWindow()
            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)


Used Libraries:
  • .NET 6.0, .NET5.0
Product Compatible and additional computed target framework versions.
.NET net6.0-windows7.0 is compatible.  net7.0-windows was computed.  net7.0-windows7.0 is compatible.  net8.0-windows was computed. 
Compatible target framework(s)
Included target framework(s) (in package)
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
2.1.1 94 2/19/2024
2.1.0 185 7/31/2023
2.0.1 211 6/20/2023
2.0.0 261 3/1/2023
2.0.0-beta.1 136 12/1/2022
2.0.0-alpha.3 104 9/13/2022
2.0.0-alpha.2 98 9/5/2022
2.0.0-alpha.1 114 9/2/2022
1.1.0-beta.2 148 7/26/2022
1.1.0-beta.1 148 5/16/2022
1.0.15 588 1/27/2022
1.0.14 464 1/24/2022