TranSPHIRE

TranSPHIRE automates real-time processing of cryo-electron microscopy (cryo-EM) datasets during data acquisition to perform on-the-fly particle picking, 2D clustering, and 3D refinement for high-throughput structure determination.

Key Features:

• Full Automation: Automates the cryo-EM processing pipeline from data transfer through 3D refinement, integrating with ongoing data acquisition.
• On-the-Fly Processing: Processes images in real time as they are recorded to provide immediate analysis results.
• Machine Learning-Based Feedback Loop: Dynamically re-trains the particle picking model during live processing to adapt to specific datasets.
• Comprehensive Pre-Processing Steps: Automatically performs particle picking, 2D clustering, and 3D refinement as part of preprocessing.
• Data Management and Visualization: Collects and displays microscope settings and metrics generated by its tools for evaluation during acquisition.
• Versatility in Data Types: Supports automated processing of filamentous structures in addition to standard particle processing.

Scientific Applications:

• High-Throughput Structure Determination: Enables rapid, high-throughput determination of macromolecular structures by automating processing during acquisition.
• Drug Discovery: Supports structural workflows relevant to drug discovery by improving throughput and enabling on-the-fly optimization of data quality.
• Real-Time Data Quality Assessment: Provides immediate feedback during acquisition to optimize imaging conditions and data quality.
• Filamentous Structure Analysis: Enables automated analysis and processing of filamentous samples for structural studies.

Methodology:

Automated computational steps explicitly include data transfer integration, on-the-fly image processing as images are recorded, particle picking, 2D clustering, 3D refinement, collection and display of microscope settings and metrics, and a machine learning-based feedback loop that dynamically re-trains the particle picking model during live processing.