Multifit

Multifit fits multiple protein structures in Protein Data Bank (PDB) format into an electron microscopy (EM) density map in MRC format to generate and rank ensemble models by quality-of-fit.

Key Features:

• Input Requirements: Accepts protein structures in Protein Data Bank (PDB) format and an electron microscopy density map in MRC format.
• Output Generation: Produces an ensemble of models and ranks them based on their quality-of-fit to the provided EM density map.
• Computational Fitting: Uses computational fitting algorithms to align multiple component structures within the EM density and evaluate configurations and orientations.

Scientific Applications:

• Structural biology: Fits multiple component structures into EM-derived density maps to determine spatial arrangement and interactions within large macromolecular assemblies.
• Mechanistic studies and drug design: Provides detailed structural information to support elucidation of biological mechanisms and aid drug design.

Methodology:

Computational fitting algorithms align multiple protein structures to the EM density map, evaluate different configurations and orientations, and optimize fits to produce a ranked ensemble of models.