ChemSharp.Molecules 1.0.15

.NET 5.0 .NET Standard 2.0
There is a newer version of this package available.
See the version list below for details.
dotnet add package ChemSharp.Molecules --version 1.0.15
NuGet\Install-Package ChemSharp.Molecules -Version 1.0.15
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" 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 --version 1.0.15
#r "nuget: ChemSharp.Molecules, 1.0.15"
#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 as a Cake Addin
#addin nuget:?package=ChemSharp.Molecules&version=1.0.15

// Install ChemSharp.Molecules as a Cake Tool
#tool nuget:?package=ChemSharp.Molecules&version=1.0.15

<p align="center"> <img src="" height="125px" /></p> <h1 align="center" >ChemSharp.Molecules</h1>

NuGet Badge

Package for processing of molecule related files.


Basic Usage

Create Molecules

Molecules can be created in a lot of ways. The easiest way is to use MoleculeFactory.Create, which accepts a string path. Depending on the File extension the correct DataProvider is used to load the file.

//Creates a molecule from cif file
const string path = "files/cif.cif";
var mol = MoleculeFactory.Create(path);

It is also possible to create a Molecule by using a specific DataProvider (e.g. if automatic detection fails or you only want to support a selected number of file types)

//You can also create molecules by selecting the provider yourself
const string path = "files/benzene.mol2";
var provider = new Mol2DataProvider(path);
var mol = new Molecule(provider);

You can also add Atoms and Bonds as Lists if you got the data from somewhere else.

//...or by just adding the Atoms & Bonds as Lists
const string path = "files/cif.cif";
var provider = new CIFDataProvider(path);
var mol = new Molecule(provider.Atoms, provider.Bonds);

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 Standard 2.0, .NET Standard 2.1, .NET 5, .NET 6
  • Unity (see Wiki <a href=""><img src=""/></a>)
  • Godot Engine (see Wiki for Snippet)
  • Blazor (see ChemSharp.Molecules.Blazor)
Product Versions
.NET net5.0 net5.0-windows net6.0 net6.0-android net6.0-ios net6.0-maccatalyst net6.0-macos net6.0-tvos net6.0-windows net7.0 net7.0-android net7.0-ios net7.0-maccatalyst net7.0-macos net7.0-tvos net7.0-windows
.NET Core netcoreapp2.0 netcoreapp2.1 netcoreapp2.2 netcoreapp3.0 netcoreapp3.1
.NET Standard netstandard2.0 netstandard2.1
.NET Framework net461 net462 net463 net47 net471 net472 net48 net481
MonoAndroid monoandroid
MonoMac monomac
MonoTouch monotouch
Tizen tizen40 tizen60
Xamarin.iOS xamarinios
Xamarin.Mac xamarinmac
Xamarin.TVOS xamarintvos
Xamarin.WatchOS xamarinwatchos
Compatible target framework(s)
Additional computed target framework(s)
Learn more about Target Frameworks and .NET Standard.

NuGet packages (3)

Showing the top 3 NuGet packages that depend on ChemSharp.Molecules:

Package Downloads

Chemsharp.Rendering: DEPRECATED


Blazor Extension for ChemSharp.Molecules


HelixToolkit Bindings for ChemSharp.Molecules

GitHub repositories

This package is not used by any popular GitHub repositories.

Version Downloads Last updated
2.0.0 88 3/1/2023
2.0.0-beta.1 111 12/1/2022
2.0.0-alpha.3 68 9/13/2022
2.0.0-alpha.2 59 9/5/2022
2.0.0-alpha.1 61 9/2/2022
1.1.0-beta.2 92 7/26/2022
1.1.0-beta.1 110 5/16/2022
1.0.15 554 1/27/2022
1.0.14 343 1/24/2022
1.0.13 271 12/5/2021
1.0.12 215 12/5/2021
1.0.11 3,047 11/25/2021
1.0.10 409 8/6/2021
1.0.9 411 7/2/2021
1.0.8 392 6/18/2021
1.0.7 406 6/16/2021
1.0.6 438 5/20/2021
1.0.5 381 5/20/2021
1.0.4 518 4/4/2021
1.0.3 382 3/30/2021
1.0.2 347 3/29/2021
1.0.1 407 3/9/2021
1.0.0 361 3/2/2021
1.0.0-beta5 216 2/20/2021
1.0.0-beta4 194 2/16/2021
1.0.0-beta3 210 2/11/2021
1.0.0-beta2 203 2/6/2021
1.0.0-beta1 196 2/4/2021
1.0.0-alpha20210202 185 2/2/2021
1.0.0-alpha20210123 197 1/23/2021
1.0.0-alpha20210105 209 1/6/2021
1.0.0-alpha2 323 12/28/2020