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…eceptor.py - Reorganize imports in alphabetical order and group by type - Add box-only mode functionality for grid box generation - Improve code formatting and add consistent spacing - No functional changes to existing behavior
- Document new --box_only mode for generating docking boxes without receptor input - Include usage examples for explicit center/size and ligand enveloping methods - Add notes about limitations and incompatible options - Provide clear command-line examples for common use cases
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added box_only option and instructions in the readme on how to use that