Molecular 3D Renderer

v1.0.0

Generate high-quality 3D ball-and-stick molecular renderings from SMILES strings or PDB structures using POV-Ray ray tracing.

0· 367·1 current·1 all-time
byZehua Zhao@zhao-zehua
MIT-0
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LicenseMIT-0 · Free to use, modify, and redistribute. No attribution required.
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Benign
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high confidence
Purpose & Capability
The name/description (POV‑Ray molecular renderer) matches the declared binaries (povray, python3), pip deps (rdkit, numpy, optional biopython) and the included scripts. The code implements SMILES→3D and PDB parsing/rendering logic that justifies the dependencies.
Instruction Scope
SKILL.md and the scripts limit actions to parsing SMILES/PDB, optionally downloading PDB files from RCSB (files.rcsb.org), generating POV‑Ray scene files, and invoking povray to render PNGs. There are no instructions to read unrelated config, environment secrets, or to transmit results to any unexpected external endpoint.
Install Mechanism
This is instruction-only (no package download/install spec). SKILL.md suggests pip installs and apt-get for povray, which is a normal, proportional approach. Nothing is pulled from obscure URLs and the included source is plain Python (not obfuscated).
Credentials
The skill declares no required environment variables or credentials. The code does not access environment secrets or unrelated config paths; it uses temporary files and downloads PDBs from the public RCSB site, which is expected for PDB mode.
Persistence & Privilege
always:false and default autonomous invocation are used. The skill does not attempt to modify other skills or system-wide agent configs. It writes temporary files (PDB cache, POV scene, output PNG) which is normal for a renderer.
Assessment
This skill appears to do what it claims: convert SMILES or PDBs into POV‑Ray scenes and render PNGs. Before installing/running: (1) be aware it will invoke the system povray binary and pip packages (rdkit can be nontrivial to install; many environments prefer conda), (2) it will download PDB files from files.rcsb.org when given a PDB ID (network access required), and (3) it will write temp files and spawn subprocesses to run povray. If you are installing this on a sensitive host, run it in an isolated environment (container/VM) and ensure you trust the povray/rdkit packages you install. If you want extra assurance, you can review the full scripts (they are included) or run them on local sample inputs first.

Like a lobster shell, security has layers — review code before you run it.

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License

MIT-0
Free to use, modify, and redistribute. No attribution required.

Runtime requirements

🧪 Clawdis
Binspovray, python3

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