Metal3D Probability

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Tools Used Tools Used Source Source

evo-design/proto-language/proto_language/constraint/protein_structure/metal3d_probability_constraint.py

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Constraint contributors

Score proposals by Metal3D metal-site probability; lower is better.

API Reference

ConfigMetal3DProbabilityConfig Source

Configuration for the Metal3D probability constraint.

number

default:"0.2"

Single Metal3D probability floor for detection, annotation, and scoring; overrides tool threshold.

Metal3DPredictionConfig

Metal3D tool configuration; its probability_threshold is overridden by min_probability.

StructurePreparationConfig

How to obtain proposal-specific structures before Metal3D scoring.

ResidueSelection

Optional candidate residues to pass to Metal3D.

Usage

python

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`

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Metal3D Probability

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