Video : Structure Assistant Tool

This documentation provides an overview of the Structure Tool plugin from MarvinJS by ChemAxon, detailing its functionalities for chemical structure drawing and manipulation. Users can create, import, and search for chemical structures efficiently using this tool.

 

  • The Structure Tool is a plugin from MarvinJS by ChemAxon, designed for chemical drawing and structure manipulation.

    It includes standard functionalities typical of chemical drawing software, allowing users to create and modify chemical structures easily.
  • Users can add single bonds to create carbon structures.Alternative elements can be added from the right-hand side of the screen.

    A periodic table is available in the top right corner for easy access to various elements, including halogens.
  • Users can introduce R group variations to their structures. By defining the elements you want or selecting the 'X' for all halogens, users can define R1 as different groups (e.g., nitrile group, oxygen group, or halogen).
  • Structures can be imported from existing sources: Upload files directly from your PC by clicking 'Choose File'.

    Paste in SMILES codes for structure representation.

    Upload photos of structures for conversion.

    A list of accepted file types is provided for reference.
  • Users can search for common names or IUPAC names of molecules (e.g., searching for 'aspirin').The search results will populate based on the input provided.
  • The right-hand side of the interface allows users to specify search parameters within the chemical structure.

    Preferences at the bottom of the screen enable filtering results by stereoisomers, isotopes, or tautomers.

 

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