MDStudio CLI

Command line interface to interact with MDStudio microservices.

Installation

Clone or download the mdstudio_cli repository from Github and install using Python pip (PyPI) as:

pip install mdstudio_cli

Usage

1. Get basic usage information and configuration options for the command line as:

   mdstudio-cli -h

2. Get configuration for a MDStudio WAMP endpoint using the endpoints URI and -i/--info:

   mdstudio-cli -i -u mdgroup.lie_structures.endpoint.convert

3. Calling an endpoint using the configuration options obtained in step 2:

   mdstudio-cli -u mdgroup.lie_structures.endpoint.convert --mol mol.pdb --output_format mol2

   Takes the content of PDB file "mol.pdb", sends it to the convert endpoint of the lie_structures endpoint and convert it to a mol2 format. The output is stored as "mol.mol2" on disk again, all none file-like output if any is printed to standard out (stdout).

   The raw JSON output from a microservice endpoint can be stored to disk as JSON file using the -j/--store_json option.