Protein Docking Configurator

Prepare input files for molecular docking software, automatically determine Grid Box center and size. Supports AutoDock Vina, AutoDock4, and other mainstream...

This skill mostly does what it says, but take these precautions before installing or running it: - Dependency check: Confirm whether numpy is actually required. The SKILL.md inconsistently lists numpy but also says no extra packages are needed. Install only the packages the code truly uses. - Path-safety: The script reads files by path without explicit sanitization. Run it in a restricted/sandboxed workspace and avoid giving it paths to sensitive system files. Prefer running it inside a container or VM with limited filesystem access. - Inspect full code: The file excerpt appears benign, but review the remainder of scripts/main.py (the provided file was truncated) for any network calls, subprocess.exec usage, or writing outside expected output paths before trusting it on sensitive inputs. - Test with non-sensitive example files first to verify behavior and outputs. - Consider adding or enforcing input validation (reject '../' traversal), and run the script under a user account with minimal privileges. If you want, I can scan the complete scripts/main.py for network/subprocess calls and any other risky patterns, or produce a short checklist/command set to run it safely in a sandbox.

Type: OpenClaw Skill Name: protein-docking-configurator Version: 1.0.0 The skill bundle is a legitimate bioinformatics tool for preparing molecular docking configurations for AutoDock Vina and AutoDock4. The core logic in scripts/main.py performs PDB file parsing and geometric calculations using standard Python libraries (argparse, re, pathlib) without any suspicious system calls, network access, or data exfiltration. The SKILL.md documentation accurately reflects the code's functionality and does not contain any prompt-injection attempts or malicious instructions.