prolint.analysis.metrics

Per-residue contact metrics analysis.

Classes

MetricsAnalysis

Per-residue contact metrics analysis.

Module Contents

class prolint.analysis.metrics.MetricsAnalysis(universe, contacts: prolint.core.contact_provider.ComputedContacts)

Bases: prolint.analysis.base.BaseAnalysis

Per-residue contact metrics analysis.

Computes per-residue contact metrics (occupancy, mean, max, sum) and returns values for all query residues in the universe.

See also

ExactContacts.compute_metric

Underlying metric computation

name = 'metrics'

Analysis name for registry.

description = 'Per-residue contact metrics (occupancy, mean, max, sum)'

Human-readable description.

run(**kwargs) → prolint.analysis.base.AnalysisResult

Compute per-residue contact metrics.

Parameters:

• metric (str, default="occupancy") – Metric to compute. One of “occupancy”, “mean”, “max”, “sum”.

• database_type (str, optional) – Filter by database residue name (e.g., “CHOL”).

• query_residues (list of int, optional) – Specific query residues to include. If None, includes all.

Returns:

Result with data containing:

• residues : list of dict with “resid” and “resname”

• values : list of float metric values

• metric : str metric name

• database_type : str or None

Return type:

AnalysisResult