Service type: Local Services


The following options are available for local services:

  • Java Archive (JAR): Browse the JAVA Archive file, which contains the classes of the desired calculation.

  • Select a function: The JAR file may contain more calculation implementations; browse and select the relevant class and method.

  • Type: The type of the parameters defined in the signature of the JAVA method.

  • Name: The name of the input parameters. Enter a name, if the name is not defined in the relevant JAR file.

  • Evaluation: Specify how the parameters are passed to the service. Select from the following:

    • Chemical Terms: Evaluate the given Chemical Terms expression on the input molecule and pass the evaluation result to the service as a parameter.

    • Active molecule: The service will use the active molecule of MarvinSketch for the calculations.

    • Active selection: The service will use the selected part of the molecule in MarvinSketch for the calculations.

    • Manual: The value of the parameter is read from the Value field.

  • Value: Set a default value for the input parameter (in case of Manual evaluation) or set the parameters for evaluation. Value can be overwritten on the calculation info panel.