> ## Documentation Index
> Fetch the complete documentation index at: https://proto.evodesign.org/docs/llms.txt
> Use this file to discover all available pages before exploring further.

# Metal3D Probability

> Reward protein sequences whose prepared structures contain high-probability Metal3D metal-ion sites.

<div class="page-hero">
  <img class="page-hero-banner" src="https://proto-bio.github.io/proto-assets/images/constraint/metal3d-probability/hero.png" alt="Metal3D Probability" />
</div>

<Note>
  **License:** This constraint can use multiple tools, each under its own license. See the **Tools Used** tab and each tool's page for license details.
</Note>

<p class="entity-disclaimer">This constraint is open source. Any third-party models, product names, or trademarks referenced are the property of their respective owners, and Proto is not affiliated with them.</p>

<hr class="entity-rule" />

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<div class="tool-tab-bar"><span class="tool-tab-wrap"><label for="tools-constraint-metal3d-probability" class="tool-tab tab-open badge-tools"><svg width="14" height="14" viewBox="0 0 24 24" fill="none" stroke="currentColor" stroke-width="2" stroke-linecap="round" stroke-linejoin="round"><rect width="7" height="7" x="3" y="3" rx="1" /><rect width="7" height="7" x="14" y="3" rx="1" /><rect width="7" height="7" x="14" y="14" rx="1" /><rect width="7" height="7" x="3" y="14" rx="1" /></svg> Tools Used</label><label for="none-constraint-metal3d-probability" class="tool-tab tab-close badge-tools"><svg width="14" height="14" viewBox="0 0 24 24" fill="none" stroke="currentColor" stroke-width="2" stroke-linecap="round" stroke-linejoin="round"><rect width="7" height="7" x="3" y="3" rx="1" /><rect width="7" height="7" x="14" y="3" rx="1" /><rect width="7" height="7" x="14" y="14" rx="1" /><rect width="7" height="7" x="3" y="14" rx="1" /></svg> Tools Used</label></span> <span class="tool-tab-wrap"><label for="source-constraint-metal3d-probability" class="tool-tab tab-open badge-source"><svg width="14" height="14" viewBox="0 0 24 24" fill="none" stroke="currentColor" stroke-width="2" stroke-linecap="round" stroke-linejoin="round"><polyline points="16 18 22 12 16 6" /><polyline points="8 6 2 12 8 18" /></svg> Source</label><label for="none-constraint-metal3d-probability" class="tool-tab tab-close badge-source"><svg width="14" height="14" viewBox="0 0 24 24" fill="none" stroke="currentColor" stroke-width="2" stroke-linecap="round" stroke-linejoin="round"><polyline points="16 18 22 12 16 6" /><polyline points="8 6 2 12 8 18" /></svg> Source</label></span></div>

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<a href="https://github.com/evo-design/proto-language/blob/d3b7822f74ea64747cc751a3b2ab1aa6b799ac47/proto_language/constraint/protein_structure/metal3d_probability_constraint.py#L72" target="_blank" class="tab-panel source-panel" data-tab="source-constraint-metal3d-probability">
  <div class="source-info">
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    <span class="source-path">evo-design/proto-language<span class="source-subpath">/proto\_language/constraint/protein\_structure/metal3d\_probability\_constraint.py</span></span>
  </div>

  <span class="panel-goto-btn source-goto-btn"><span><svg width="14" height="14" viewBox="0 0 24 24" fill="currentColor"><path d="M12 0C5.37 0 0 5.37 0 12c0 5.31 3.435 9.795 8.205 11.385.6.105.825-.255.825-.57 0-.285-.015-1.23-.015-2.235-3.015.555-3.795-.735-4.035-1.41-.135-.345-.72-1.41-1.23-1.695-.42-.225-1.02-.78-.015-.795.945-.015 1.62.87 1.845 1.23 1.08 1.815 2.805 1.305 3.495.99.105-.78.42-1.305.765-1.605-2.67-.3-5.46-1.335-5.46-5.925 0-1.305.465-2.385 1.23-3.225-.12-.3-.54-1.53.12-3.18 0 0 1.005-.315 3.3 1.23.96-.27 1.98-.405 3-.405s2.04.135 3 .405c2.295-1.56 3.3-1.23 3.3-1.23.66 1.65.24 2.88.12 3.18.765.84 1.23 1.905 1.23 3.225 0 4.605-2.805 5.625-5.475 5.925.435.375.81 1.095.81 2.22 0 1.605-.015 2.895-.015 3.3 0 .315.225.69.825.57A12.02 12.02 0 0024 12c0-6.63-5.37-12-12-12z" /></svg> View source</span></span>
</a>

<div class="entity-contributors"><span class="entity-contributors-label">Constraint contributors</span><span class="entity-contributors-people"><a class="entity-contributor" href="https://github.com/bviggiano" target="_blank" rel="noopener" title="bviggiano: 5 commits"><img noZoom class="entity-contributor-avatar" src="https://avatars.githubusercontent.com/u/21143637?v=4&s=64" alt="" loading="lazy" /><span class="entity-contributor-login">bviggiano</span></a><a class="entity-contributor" href="https://github.com/brianhie" target="_blank" rel="noopener" title="brianhie: 2 commits"><img noZoom class="entity-contributor-avatar" src="https://avatars.githubusercontent.com/u/6365340?v=4&s=64" alt="" loading="lazy" /><span class="entity-contributor-login">brianhie</span></a></span></div>
Score proposals by Metal3D metal-site probability; lower is better.

## API Reference

<div class="api-model-section api-model-static api-config-section">
  <div class="api-model-header"><span class="api-model-badge api-config-badge">Config</span><span class="api-model-name">Metal3DProbabilityConfig</span><a href="https://github.com/evo-design/proto-language/blob/d3b7822f74ea64747cc751a3b2ab1aa6b799ac47/proto_language/constraint/protein_structure/metal3d_probability_constraint.py#L27" target="_blank" class="func-table-btn func-source-btn api-model-source"><svg width="12" height="12" viewBox="0 0 24 24" fill="none" stroke="currentColor" stroke-width="2" stroke-linecap="round" stroke-linejoin="round"><polyline points="16 18 22 12 16 6" /><polyline points="8 6 2 12 8 18" /></svg> Source</a></div>

  Configuration for the Metal3D probability constraint.

  <ParamField path="min_probability" type="number" default="0.2">
    Single Metal3D probability floor for detection, annotation, and scoring; overrides tool threshold.
  </ParamField>

  <ParamField path="metal3d_config" type="Metal3DPredictionConfig">
    Metal3D tool configuration; its probability\_threshold is overridden by min\_probability.
  </ParamField>

  <ParamField path="structure_preparation" type="StructurePreparationConfig">
    How to obtain proposal-specific structures before Metal3D scoring.
  </ParamField>

  <ParamField path="candidate_residues" type="ResidueSelection">
    Optional candidate residues to pass to Metal3D.
  </ParamField>
</div>

## Usage

```python python icon="python" theme={null}
from proto_language.core import Constraint
from proto_language.constraint import metal3d_probability_constraint, Metal3DProbabilityConfig

constraint = Constraint(
    inputs=[segment],
    function=metal3d_probability_constraint,
    function_config=Metal3DProbabilityConfig(
        # Configure parameters here
    ),
)

scores = constraint.evaluate()
```

## Metadata

| Property        | Value                            |
| --------------- | -------------------------------- |
| Key             | `metal3d-probability`            |
| Function        | `metal3d_probability_constraint` |
| Category        | `protein_structure`              |
| Mode            | `discrete`                       |
| Uses GPU        | `True`                           |
| Supported Types | `protein`                        |
