A Horus plugin that extracts ZINC vendor information from a CSV file containing ZINC IDs and outputs the vendor data to a new CSV file.
- Load the plugin in Horus
- Provide a CSV file containing ZINC IDs as input
- Specify the output location for the vendor information CSV
- Run the extraction process
The input CSV file should contain ZINC compound IDs. The plugin will process these IDs to retrieve vendor information from the ZINC database.
The output CSV file will contain vendor information for the provided ZINC compounds, including relevant vendor details and availability data.
To build the plugin package:
./build_plugin.shThis will create a vendors_horus.hp file that can be installed in Horus.
For development with autocompletions and linting tools:
pip install -r dev-requirements.txt