Memory-Efficient Processing

For large trajectories, mdxplain supports memory-mapped processing:

# Enable memory mapping for datasets larger than RAM
pipeline = PipelineManager(use_memmap=True, chunk_size=1000)

Memory Mapping Guidelines

  • Enable for trajectories approaching/exceeding available RAM

  • Enable when analyzing multiple large trajectories simultaneously

  • Disable for small/medium datasets that fit in RAM (faster processing)

  • Chunk size: Start with 2000 frames; increase if RAM allows, decrease if memory pressure occurs

    • Example: six 3500-frame trajectories with 16 GB RAM → chunk_size=500