coot-correlations

What problem does it solve?

This Skill helps researchers validate structural models by quantifying how well the model fits electron density maps using density-fit correlations within Coot, enabling rapid identification of regions with poor density support.

Core Features & Use Cases

• Per-residue correlation statistics: compute both all-atom and side-chain correlations for each residue across a chain.
• Region and neighbor analysis: assess correlations for specified residue ranges or neighboring regions to guide refinement.
• Integrated validation workflow: combines density-fit metrics with other validation steps in Coot to guide corrections.

Quick Start

Load a model and map in Coot. Then run the map_to_model_correlation_stats_per_residue_range_py function with appropriate parameters to obtain per-residue correlation statistics, and inspect the results to identify residues with poor fits. Use the map_to_model_correlation_py and map_to_model_correlation_stats_py functions to further investigate overall and local fit quality, and apply refinements as needed.