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@datagrok/marvin

v3.1.36

Published

Adds MarvinJS sketcher as one of the supported molecule sketchers

Downloads

280

Vulnerabilities

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  • 0Medium
  • 0Low

Links

Git

Maintainers

aparamonov_datagrokaparamonov_datagrokskalkinskalkindrizhinadrizhinappolovyi_datagrokppolovyi_datagrokaleksashka_11aleksashka_11

Keywords

Readme

Marvin

Marvin is a package for the Datagrok platform that exposes the ChemAxon MarvinJS molecule sketcher as one of the sketchers available wherever a Datagrok molecule sketcher is used (cell editor, dialog, molecule input). MarvinJS is a licensed product — a valid license is required to access full functionality.

Install

  • Open Datagrok and install the latest version of the Marvin package from npm via the Packages tab.

Configure

Open the Marvin package settings (property panel) and fill in the required properties:

  • License Path — URL to the MarvinJS license XML file.
  • Mol Convert Path — URL of the ChemAxon molconvertws web service. When set, structure conversions (V2000 ↔ V3000, SMILES, SMARTS) go through ChemAxon's remote service.

Click Save and reload the page.

Use

After configuration, MarvinJS appears in the sketcher picker alongside the other sketchers (OpenChemLib, Ketcher, …) and can be selected from the dropdown.