molecular-router

name	molecular-router
description	Route molecular modeling tool requests. Covers RDKit (conformers, representations, fingerprints) and AmberTools antechamber (force field parameterization).
compatibility	Requires RDKit and/or AmberTools installed depending on sub-skill.

Molecular Tools Router

Route molecular-level tool requests to the correct sub-skill.

Routing Table

User intent	Route to
Conformer generation, SMILES/InChI parsing, molecular fingerprints	rdkit/SKILL.md
GAFF/AMBER force field parameterization, RESP charges	antechamber/SKILL.md

Quick Decision Guide

• "Generate conformers" / "SMILES to 3D" / "molecular fingerprint" → rdkit/SKILL.md
• "Parameterize molecule" / "GAFF" / "RESP charges" / "AMBER prep" → antechamber/SKILL.md
• "Convert mol2 to pdb" / "add hydrogens" → use data/openbabel/SKILL.md instead
• "Pack molecules into box" → use data/packmol/SKILL.md instead