MotiveValidator:Technical details

This is help for version 0.1.13.11.22d. The help text for other versions be viewed using the --help command when running the application.

Running the Service

The service can be executed using the command (latest .NET Framework required):

WebChemistry.MotiveValidator.Service.exe configuration.json resultFolder

In Linux (where available) and MacOS, the latest version the Mono Framework (http://mono-project.com/) must be used to run the application:

mono WebChemistry.MotiveValidator.Service.exe configuration.json resultFolder

The configuration is specified using the JSON format.

This is the general shape of the input configuration. More examples are included with the application distribution.

{
  "ValidationType": "Model",
  "InputFolder": "./MAN",
  "ModelFilename": "./MAN.pdb",
  "ModelsFolder": "./Models",
  "SummaryOnly": false
}

Type of the validation.

Folder with the input data.

Filename of the model.

Folder with models in PDB format.

Determines whether to compute only the summary file and not files with motifs.

Analyzes the input biomolecule fragments (motifs) against the provided model using the ModelFilename attribute.

Automatically identifies and analyzes sugars inside the input biomolecules (with models from the ModelsFolder attribute).

Automatically identifies and all residue inside the input biomolecules (with models from the ModelsFolder attribute).

Special mode for Web UI, use Residues instead.

TODO