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
The NuGet Team does not provide support for this client. Please contact its maintainers for support.
#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
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>
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 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.
-
net6.0-windows7.0
- ChemSharp.Molecules (>= 2.1.1)
- HelixToolkit.Core.Wpf (>= 2.24.0)
-
net7.0-windows7.0
- ChemSharp.Molecules (>= 2.1.1)
- HelixToolkit.Core.Wpf (>= 2.24.0)
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 | 146 | 2/19/2024 | |
2.1.0 | 215 | 7/31/2023 | |
2.0.1 | 241 | 6/20/2023 | |
2.0.0 | 283 | 3/1/2023 | |
2.0.0-beta.1 | 147 | 12/1/2022 | |
2.0.0-alpha.3 | 122 | 9/13/2022 | |
2.0.0-alpha.2 | 110 | 9/5/2022 | |
2.0.0-alpha.1 | 125 | 9/2/2022 | |
1.1.0-beta.2 | 159 | 7/26/2022 | |
1.1.0-beta.1 | 167 | 5/16/2022 | |
1.0.15 | 615 | 1/27/2022 | |
1.0.14 | 490 | 1/24/2022 |