Calculations with Third-Party Services

In Marvin, it is possible to integrate JAVA-based local services or different web services through the MarvinSketch Gui, which can be opened from JChem for Excel as well.

With this solution, you can apply your calculation method to a single molecule through a JAR. For more information regarding service integration in MarvinSketch, see the Services Module topic.

  1. Open the Marvin editor by double-clicking a structure or clicking the Add/Edit button.

  2. Navigate to Edit > Preferences in Marvin.

    images/download/attachments/1806081/Calculations_with_3P_Services_s2.png
  3. Select the Services tab.

  4. Click Add New service (+ icon).

  5. Specify the options and click Accept.

    images/download/attachments/1806081/Calculations_with_3P_Services_s5.png
  6. To apply this custom service to a molecule available on the sheet, click Services in the Marvin Structure Editor window and select the newly added function.

    images/download/attachments/1806081/Calculations_with_3P_Services_s6.png
  7. The calculated value appears in a new window.

    images/download/attachments/1806081/Calculations_with_3P_Services_s7.png