Local
Service type: Local Services
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Java Archive (JAR): Browse the JAVA Archive file, which contains the classes of the desired calculation;
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Select a function: The JAR file may contain more calculation implementations; browse and select the relevant class and method;
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Fill in the required fields:
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Type: The type of the parameter(s) defined in JAVA method's signature;
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Name: Name of the input parameter(s). Give a name, if it is not defined in the relevant JAR file;
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Evaluation: Specify how the parameters are passed to the service. Select from the drop-down list:
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Chemical Terms: Evaluate the given Chemical Terms expression on the input molecule and pass the evaluation result to the service as parameter;
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Active molecule: The service will use the active molecule of MarvinSketch for the calculations;
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Active selection: The service will use the selected part of the molecule in MarvinSketch for the calculations;
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Manual: The value of the parameter is read from the Value field.
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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.
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