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Jens Krumsieck edited this page Nov 25, 2021 · 6 revisions

ChemSharp

ChemSharp has been designed in a modular way. First, you have to select the packages that are relevant for your project. The following are available for selection

  • ChemSharp (Base) - Contains an intersection of interfaces and extensions, as well as constants. Usually it is not enough to install only the base package.
  • ChemSharp.Molecules - Contains all the classes needed to load and save molecules from the supported file types, as well as some classes to create, for example, molecular formulae, molecular weights and elemental analyses. The basic types "Element, Atom, Bond, Molecule" are also included. - This package is used, for example, by CHN Tool and PorphyStruct.
  • ChemSharp.Spectroscopy - Contains classes needed to load and save spectra from the supported file types, as well as the base class "Spectrum". - This package is used by SPCViewer, for example.
  • ChemSharp.UnitConversion - Contains classes needed to convert units (energy, mass, etc.) - - This package is used by SPCViewer, for example.
  • ChemSharp.Rendering (experimental) - Is able to render SVG Images of Molecules.

You can access the packages via NuGet:

ChemSharp Nuget (with prereleases)
ChemSharp.Molecules Nuget (with prereleases)
ChemSharp.Molecules.Blazor Nuget (with prereleases)
ChemSharp.Spectroscopy Nuget (with prereleases)
ChemSharp.UnitConversion Nuget (with prereleases)
ChemSharp.Rendering deprecated Nuget (with prereleases)