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pharmacophore_view

Color a ligand by pharmacophore feature type and visualize hydrogen bonds to protein residues with a semi-transparent pocket surface.

Instructions

Colors a ligand by pharmacophore feature type.

The ligand is shown as sticks color-coded by pharmacophore property: violet=ring/aromatic carbon, yellow=aliphatic carbon, skyblue=nitrogen (H-bond donor/acceptor), salmon=oxygen (H-bond acceptor), gold=sulfur, palegreen=halogen (F/Cl/Br/I). H-bonds to protein are shown as cyan dashes. Interacting residue sidechains are shown as element-colored sticks with CA labels. The pocket is shown as a semi-transparent grey surface for cavity context. The protein backbone is shown as a thin grey cartoon.

Args: obj_name: PyMOL object name (e.g. "1abc") resn: Ligand residue name (e.g. "ATP", "LIG", "ANP")

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
resnYes
obj_nameYes

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault
resultYes
Behavior5/5

Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?

The description details the visual output comprehensively: color coding for atoms, H-bond dashes, residue sticks, pocket surface, and backbone cartoon. No contradictory or missing behavioral info.

Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.

Conciseness5/5

Is the description appropriately sized, front-loaded, and free of redundancy?

The description is front-loaded with the main purpose, then a clear bullet-like list of visual features, followed by parameter definitions. Every sentence adds value without redundancy.

Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.

Completeness5/5

Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?

Given the output schema existence (not needed for return values) and the lack of annotations, the description fully covers what the tool does visually. No missing context for a visualization tool.

Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.

Parameters4/5

Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?

The schema has 0% description coverage, but the description adds examples and clarifies each parameter's role (obj_name as Python object name, resn as ligand residue name). This compensates well.

Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.

Purpose5/5

Does the description clearly state what the tool does and how it differs from similar tools?

The description clearly states the tool colors a ligand by pharmacophore feature type. It provides a specific verb and resource, distinguishing it from generic visualization tools.

Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.

Usage Guidelines2/5

Does the description explain when to use this tool, when not to, or what alternatives exist?

There is no guidance on when to use this tool versus alternatives like ligand_view or pocket_view. The description only explains what it does, not when to apply it.

Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.

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